1,3-dicarbonyl compounds

Alfa Aesar™ Diethyl acetylsuccinate, 97+%

CAS: 1115-30-6 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.233 MDL Number: MFCD00009157 InChI Key: DVSDDICSXBCMQJ-UHFFFAOYSA-N Synonym: diethyl 2-acetylsuccinate, diethyl acetylsuccinate, ethyl acetylsuccinate, diethyl acetosuccinate, butanedioic acid, acetyl-, diethyl ester, acetylsuccinic acid diethyl ester, diethylacetylsuccinate, 1,4-diethyl 2-acetylbutanedioate, succinic acid, acetyl-, diethyl ester, butanedioic acid, 2-acetyl-, 1,4-diethyl ester PubChem CID: 66197 IUPAC Name: diethyl 2-acetylbutanedioate SMILES: CCOC(=O)CC(C(=O)C)C(=O)OCC

Alfa Aesar™ Diethyl isobutylmalonate, 98%

CAS: 10203-58-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00026869 InChI Key: OFRFGNSZCYDFOH-UHFFFAOYSA-N Synonym: diethyl isobutylmalonate, isobutylmalonic acid diethyl ester, diethyl 2-isobutylmalonate, propanedioic acid, 2-methylpropyl-, diethyl ester, malonic acid, isobutyl-, diethyl ester, diethyl 2-2-methylpropyl propanedioate, ethyl 2-carbethoxy-4-methyl pentanoate, propanedioic acid, 2-2-methylpropyl-, 1,3-diethyl ester, 1,3-diethyl 2-2-methylpropyl propanedioate, diethylisobutylmalonate PubChem CID: 25047 IUPAC Name: diethyl 2-(2-methylpropyl)propanedioate SMILES: CCOC(=O)C(CC(C)C)C(=O)OCC

Alfa Aesar™ Dimethyl (2-thienylmethyl)malonate, 95%

CAS: 122308-25-2 Molecular Formula: C10H12O4S Molecular Weight (g/mol): 228.262 MDL Number: MFCD08436111 InChI Key: PIIHAJHYNTWOAF-UHFFFAOYSA-N Synonym: dimethyl 2-thienylmethyl malonate, dimethyl 2-thiophen-2-ylmethyl malonate, 1,3-dimethyl 2-thiophen-2-ylmethyl propanedioate, acmc-1c16u, 2-thienylmethyl malonic acid dimethyl ester, dimethyl thiophen-2-yl methyl propanedioate, propanedioic acid,2-2-thienylmethyl-, 1,3-dimethyl ester PubChem CID: 14425092 IUPAC Name: dimethyl 2-(thiophen-2-ylmethyl)propanedioate SMILES: COC(=O)C(CC1=CC=CS1)C(=O)OC

Diethyl ethylmalonate, 99%, ACROS Organics™

CAS: 133-13-1 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00009167 InChI Key: VQAZCUCWHIIFGE-UHFFFAOYSA-N Synonym: diethyl ethylmalonate, diethyl 2-ethylmalonate, propanedioic acid, ethyl-, diethyl ester, ethylmalonic acid diethyl ester, 1,3-diethyl 2-ethylpropanedioate, unii-69g92oyr3m, propanedioic acid, 2-ethyl-, 1,3-diethyl ester, malonic acid, ethyl-, diethyl ester, diethyl ethylpropanedioate, diethyl 2-ethylpropane-1,3-dioate PubChem CID: 8610 IUPAC Name: diethyl 2-ethylpropanedioate SMILES: CCC(C(=O)OCC)C(=O)OCC

mono-tert-Butyl malonate, 95%, ACROS Organics™

CAS: 40052-13-9 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonym: 3-tert-butoxy-3-oxopropanoic acid, malonic acid mono-tert-butyl ester, mono-tert-butyl malonate, 2-tert-butoxycarbonyl acetic acid, tert-butyl hydrogen malonate, mono-t-butyl malonate, pubchem13754, malonicacidmono-tert-butylester, malonic acid mono t-butyl ester PubChem CID: 545853 IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid SMILES: CC(C)(C)OC(=O)CC(=O)O

Alfa Aesar™ Diethyl sec-butylmalonate, 96%

CAS: 83-27-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00015194 InChI Key: MIIZSUOEOUHAIZ-UHFFFAOYSA-N Synonym: diethyl sec-butylmalonate, diethyl 2-sec-butyl malonate, sec-butylmalonic acid diethyl ester, diethyl 1-methylpropyl malonate, diethyl 1-methylpropylmalonate, sec-butylmalonic acid, diethyl ester, 1,3-diethyl 2-sec-butyl propanedioate, diethyl s-butylmalonate, diethylsec-butylmalonate, acmc-209prt PubChem CID: 78940 IUPAC Name: diethyl 2-butan-2-ylpropanedioate SMILES: CCC(C)C(C(=O)OCC)C(=O)OCC

Alfa Aesar™ Dibenzyl malonate, 95%

CAS: 15014-25-2 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.311 MDL Number: MFCD00004779 InChI Key: RYFCSKVXWRJEOB-UHFFFAOYSA-N Synonym: dibenzyl malonate, propanedioic acid, bis phenylmethyl ester, 1,3-dibenzyl propanedioate, malonic acid dibenzyl ester, malonic acid dibenzyl, acmc-209d3u, diphenylmethyl propane-1,3-dioate, propanedioic acid,1,3-bis phenylmethyl ester, propanedioic acid, 1,3-bis phenylmethyl ester, s-3-amino-2-oxetanone p-toluenesulfonic acid salt boc protection form PubChem CID: 84754 IUPAC Name: dibenzyl propanedioate SMILES: C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2

Acetoacetamide, 97%, ACROS Organics™

CAS: 5977-14-0 Molecular Formula: C4H7NO2 Molecular Weight (g/mol): 101.105 InChI Key: GCPWJFKTWGFEHH-UHFFFAOYSA-N Synonym: acetoacetamide, acetylacetamide, acetoacetic acid amide, butanamide, 3-oxo, 3-oxobutanamid, unii-6o9u7cfy0t, 6o9u7cfy0t, 3-oxobutyramide, acmc-20alv9 PubChem CID: 80077 ChEBI: CHEBI:28515 IUPAC Name: 3-oxobutanamide SMILES: CC(=O)CC(=O)N

Alfa Aesar™ Ethyl 4,4-dimethyl-3-oxovalerate, 97%

CAS: 17094-34-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00042886 InChI Key: VUYNTIDSHCJIKF-UHFFFAOYSA-N Synonym: ethyl pivaloylacetate, ethyl 4,4,4-trimethylacetoacetate, ethyl 4,4-dimethyl-3-oxovalerate, 4,4-dimethyl-3-oxovaleric acid ethyl ester, pivaloylacetic acid ethyl ester, ethyl 4,4-dimethyl-3-oxo-pentanoate, pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester, 4,4-dimethyl-3-oxo-pentanoic acid ethyl ester, ethylpivaloylacetate, pubchem19816 PubChem CID: 86950 IUPAC Name: ethyl 4,4-dimethyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)(C)C

Diethyl malonate, 99+%, ACROS Organics™

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate, malonic ester, propanedioic acid, diethyl ester, dicarbethoxymethane, malonic acid, diethyl ester, carbethoxyacetic ester, malonic acid diethyl ester, 1,3-diethyl propanedioate, ethyl propanedioate, ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

Alfa Aesar™ Methyl hydrogen malonate, 96%

CAS: 16695-14-0 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.088 MDL Number: MFCD00667796 InChI Key: PBVZQAXFSQKDKK-UHFFFAOYSA-N Synonym: methyl hydrogen malonate, malonic acid monomethyl ester, 3-methoxy-3-oxo-propanoic acid, 1-methyl malonate, hydrogen methyl malonate PubChem CID: 538366 IUPAC Name: 3-methoxy-3-oxopropanoic acid SMILES: COC(=O)CC(=O)O

Alfa Aesar™ Benzyl ethyl malonate, tech. 85%

CAS: 42998-51-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009194 InChI Key: CGNOCUSLPSCMLL-UHFFFAOYSA-N Synonym: benzyl ethyl malonate, benzylethyl malonate, malonic acid benzyl ethyl ester, ethyl benzylmalonate, acmc-20alpf, 1-benzyl 3-ethyl malonate #, ethyl phenylmethyl propanedioate, 1-benzyl 3-ethyl propanedioate, malonic acid 1-benzyl 3-ethyl ester, ethyl phenylmethyl propane-1,3-dioate PubChem CID: 562228 IUPAC Name: 3-O-benzyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC1=CC=CC=C1

Diethyl phenylmalonate, 98%, ACROS Organics™

CAS: 83-13-6 Molecular Formula: C13H16O4 Molecular Weight (g/mol): 236.27 MDL Number: MFCD00009144 InChI Key: FGYDHYCFHBSNPE-UHFFFAOYSA-N Synonym: diethyl phenylmalonate, diethyl 2-phenylmalonate, phenylmalonic acid diethyl ester, propanedioic acid, phenyl-, diethyl ester, diethylphenylmalonate, 1,3-diethyl 2-phenylpropanedioate, malonic acid, phenyl-, diethyl ester, propanedioic acid, 2-phenyl-, 1,3-diethyl ester, diethyl 2-phenylpropane-1,3-dioate, diethyl-phenylmalonate PubChem CID: 66514 IUPAC Name: diethyl 2-phenylpropanedioate SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC

Alfa Aesar™ Malonic acid dihydrazide, 99%

CAS: 3815-86-9 Molecular Formula: C3H8N4O2 Molecular Weight (g/mol): 132.123 MDL Number: MFCD00041268 InChI Key: PSIKPHJLTVSQFO-UHFFFAOYSA-N Synonym: malonic acid dihydrazide, malonohydrazide, malonic dihydrazide, propanedioic acid, dihydrazide, malonhydrazide, malonyl dihydrazide, malonic acid, dihydrazide, malonyl hydrazide, malonic acid hydrazide, malonoyldihydrazine PubChem CID: 77433 IUPAC Name: propanedihydrazide SMILES: C(C(=O)NN)C(=O)NN

Alfa Aesar™ Malonic acid disodium salt, 99%

CAS: 141-95-7 Molecular Formula: C3H2Na2O4 Molecular Weight (g/mol): 148.025 MDL Number: MFCD00002708 InChI Key: PRWXGRGLHYDWPS-UHFFFAOYSA-L Synonym: sodium malonate, disodium malonate, propanedioic acid, disodium salt, malonic acid disodium salt, disodium propanedioate, malonic acid, sodium salt, unii-9qwe64m39h, propanedioic acid, sodium salt 1:2, malonic acid, disodium salt, dicarboxymethane disodium salt PubChem CID: 8865 ChEBI: CHEBI:62983 IUPAC Name: disodium;propanedioate SMILES: C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Diethyl 1,3-acetonedicarboxylate, 95%, ACROS Organics™

CAS: 105-50-0 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.21 MDL Number: MFCD00009200 InChI Key: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonym: diethyl 1,3-acetonedicarboxylate, diethyl 3-oxoglutarate, 1,5-diethyl 3-oxopentanedioate, pentanedioic acid, 3-oxo-, diethyl ester, ethyl acetonedicarboxylate, ethyl 3-oxoglutarate, diethyl acetone-1,3-dicarboxylate, diethyl acetone dicarboxylate, 3-oxopentanedioic acid diethyl ester, acetonedicarboxylic acid diethyl ester PubChem CID: 66045 IUPAC Name: diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC

Methyl malonyl chloride, 97%, ACROS Organics™

CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.53 MDL Number: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N Synonym: methyl malonyl chloride, methyl 3-chloro-3-oxopropionate, methyl chloroformylacetate, propanoic acid, 3-chloro-3-oxo-, methyl ester, methyl-3-chloro-3-oxopropionate, methyl-3-chlor-3-oxopropanoat, methyl chlorocarbonylacetate, carbomethoxy acetyl chloride, methyl chloroformyl acetate, methyl3-chloro-3-oxopropionate PubChem CID: 123460 IUPAC Name: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl

Alfa Aesar™ Diethyl acetone-1,3-dicarboxylate, 96%

CAS: 105-50-0 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.206 MDL Number: MFCD00009200 InChI Key: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonym: diethyl 1,3-acetonedicarboxylate, diethyl 3-oxoglutarate, 1,5-diethyl 3-oxopentanedioate, pentanedioic acid, 3-oxo-, diethyl ester, ethyl acetonedicarboxylate, ethyl 3-oxoglutarate, diethyl acetone-1,3-dicarboxylate, diethyl acetone dicarboxylate, 3-oxopentanedioic acid diethyl ester, acetonedicarboxylic acid diethyl ester PubChem CID: 66045 IUPAC Name: diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC

Alfa Aesar™ Dimethyl malonate, 98+%

CAS: 108-59-8 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: dimethyl malonate, methyl malonate, propanedioic acid, dimethyl ester, malonic acid dimethyl ester, 1,3-dimethyl propanedioate, dimethyl 1,3-propanedioate, malonic acid, dimethyl ester, unii-em8y79998c, ccris 8981, propanedioic acid dimethyl ester PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC

Alfa Aesar™ Benzyl acetoacetate, 97%

CAS: 5396-89-4 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00008785 InChI Key: WOFAGNLBCJWEOE-UHFFFAOYSA-N Synonym: benzyl acetoacetate, acetoacetic acid benzyl ester, benzyl acetylacetate, acetoacetic acid, benzyl ester, phenylmethyl 3-oxobutanoate, butanoic acid, 3-oxo-, phenylmethyl ester, benzyl beta-ketobutyrate, ac-benzyl, unii-f9s0xgv18x, f9s0xgv18x PubChem CID: 142266 IUPAC Name: benzyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=CC=C1

Alfa Aesar™ Dimethyl allylmalonate, 97%

CAS: 40637-56-7 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00014959 InChI Key: VZNFVLWVVHHMBG-UHFFFAOYSA-N Synonym: dimethyl allylmalonate, dimethyl 2-allylmalonate, propanedioic acid, 2-propenyl-, dimethyl ester, 1,3-dimethyl 2-prop-2-en-1-yl propanedioate, dimethyl allyl-malonate, acmc-1bnbn, dimethyl 2-allylmalonate #, 2-allyl-propanedioic acid dimethyl ester, 2-prop-2-enylpropanedioic acid dimethyl ester PubChem CID: 574826 IUPAC Name: dimethyl 2-prop-2-enylpropanedioate SMILES: COC(=O)C(CC=C)C(=O)OC

Ethyl acetoacetate, 99%, pure, ACROS Organics™

CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: ethyl acetoacetate, ethyl acetylacetate, ethyl 3-oxobutyrate, diacetic ether, butanoic acid, 3-oxo-, ethyl ester, ethyl acetylacetonate, acetoacetic acid, ethyl ester, 3-oxobutanoic acid ethyl ester, 3-oxo-butyric acid ethyl ester, active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

Malonic acid, 99%, ACROS Organics™

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.06 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: malonic acid, dicarboxymethane, carboxyacetic acid, methanedicarboxylic acid, kyselina malonova, usaf ek-695, dicarboxylate, dicarboxylic acid, kyselina malonova czech, propanediolic acid PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

Alfa Aesar™ Methyl 2-oxoindane-1-carboxylate, 97%

CAS: 104620-34-0 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD06200715 InChI Key: RWSYHHRDYRDVQL-UHFFFAOYSA-N Synonym: methyl 2-oxo-1-indanecarboxylate, methyl 2-oxoindane-1-carboxylate, methyl2-oxo-1-indanecarboxylate, methyl 2-oxo-2,3-dihydro-1h-indene-1-carboxylate, 1h-indene-1-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester, acmc-20agv9, 1-methoxycarbonyl-2-indanone, 2-oxo-indan-1-carboxylic acid methyl ester, 2-oxo-1,3-dihydro-indene-1-carboxylic acid methyl ester PubChem CID: 10888732 IUPAC Name: methyl 2-oxo-1,3-dihydroindene-1-carboxylate SMILES: COC(=O)C1C(=O)CC2=CC=CC=C12

Alfa Aesar™ Diethyl methylmalonate, 99%

CAS: 609-08-5 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.196 MDL Number: MFCD00009162 InChI Key: UPQZOUHVTJNGFK-UHFFFAOYSA-N Synonym: diethyl methylmalonate, methylmalonic acid diethyl ester, diethyl 2-methylmalonate, propanedioic acid, methyl-, diethyl ester, 1,3-diethyl 2-methylpropanedioate, diethylmethylmalonate, ethyl methylmalonate, diethyl methylpropanedioate, malonic acid, methyl-, diethyl ester, 2-methylmalonic acid diethyl PubChem CID: 11857 IUPAC Name: diethyl 2-methylpropanedioate SMILES: CCOC(=O)C(C)C(=O)OCC

Ethyl isobutyrylacetate, 95%, ACROS Organics™

CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate, 4-methyl-3-oxo-pentanoic acid ethyl ester, pentanoic acid, 4-methyl-3-oxo-, ethyl ester, ethyl isobutyroylacetate, valeric acid, 4-methyl-3-oxo-, ethyl ester, .gamma.,.gamma.-dimethylacetoacetic acid ethyl ester, beta-keto-gamma-methylvaleric acid ethyl ester, ethyl alpha-isobutyroylacetate, ethylisobutyrylacetate, ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C

Alfa Aesar™ Ethyl propionylacetate, 95%

CAS: 4949-44-4 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: ethyl propionylacetate, ethyl 3-oxovalerate, ethyl 3-oxo-n-valerate, pentanoic acid, 3-oxo-, ethyl ester, 3-oxopentanoic acid ethyl ester, 3-oxo-pentanoic acid ethyl ester, ethyl 3-ketopentanoate, 3-oxovaleric acid ethyl ester, propionylacetic acid ethyl ester, ethylpropanylacetate PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC

Alfa Aesar™ Diethyl tert-butylmalonate, 97%

CAS: 759-24-0 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00009152 InChI Key: RJNICNBRGVKNSR-UHFFFAOYSA-N Synonym: diethyl tert-butylmalonate, diethyl t-butylmalonate, diethyl 1,1-dimethylethyl malonate, diethyl 2-tert-butyl malonate, propanedioic acid, 1,1-dimethylethyl-, diethyl ester, diethyltert-butylmalonate, diethyl 2-tert-butylmalonate #, tert-butylmalonic acid diethyl ester, 1,3-diethyl 2-tert-butylpropanedioate PubChem CID: 69798 IUPAC Name: diethyl 2-tert-butylpropanedioate SMILES: CCOC(=O)C(C(=O)OCC)C(C)(C)C

Diethyl malonate, 99%, Alfa Aesar™

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00009195 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate, malonic ester, propanedioic acid, diethyl ester, dicarbethoxymethane, malonic acid, diethyl ester, carbethoxyacetic ester, malonic acid diethyl ester, 1,3-diethyl propanedioate, ethyl propanedioate, ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

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