1,3-dicarbonyl compounds

Malonic acid, 99%, ACROS Organics™

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

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: 3-oxo-butyric acid ethyl ester, 3-oxobutanoic acid ethyl ester, acetoacetic acid, ethyl ester, active acetylacetate, butanoic acid, 3-oxo-, ethyl ester, diacetic ether, ethyl 3-oxobutyrate, ethyl acetoacetate, ethyl acetylacetate, ethyl acetylacetonate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

Alfa Aesar™ Malonic acid, 99%

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.061 MDL Number: MFCD00002707 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: carboxyacetic acid, dicarboxylate, dicarboxylic acid, dicarboxymethane, kyselina malonova, kyselina malonova czech, malonic acid, methanedicarboxylic acid, propanediolic acid, usaf ek-695 PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

Mono-tert-butyl Malonate 97.0+%, TCI America™

CAS: 40052-13-9 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00191886 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonym: 2-tert-butoxycarbonyl acetic acid, 3-tert-butoxy-3-oxopropanoic acid, malonic acid mono t-butyl ester, malonic acid mono-tert-butyl ester, malonicacidmono-tert-butylester, mono-t-butyl malonate, mono-tert-butyl malonate, pubchem13754, tert-butyl hydrogen malonate PubChem CID: 545853 IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid SMILES: CC(C)(C)OC(=O)CC(=O)O

Ethyl 4,4-Dimethyl-3-oxovalerate 98.0+%, TCI America™

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

Alfa Aesar™ Ethyl 2-methylacetoacetate, 95%

CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonym: 2-methyl-3-oxobutanoic acid ethyl ester, 2-methylacetoacetic acid ethyl ester, butanoic acid, 2-methyl-3-oxo-, ethyl ester, ethyl 2-acetylpropionate, ethyl 2-methyl-3-oxobutyrate, ethyl 2-methylacetoacetate, ethyl alpha-methylacetylacetate, ethyl methylacetoacetate, ethyl-2-methyl acetoacetate, ethyl2-methylacetoacetate PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C

Alfa Aesar™ Malonic acid, Reagent Grade, 99.5+%

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.061 MDL Number: MFCD00002707 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: carboxyacetic acid, dicarboxylate, dicarboxylic acid, dicarboxymethane, kyselina malonova, kyselina malonova czech, malonic acid, methanedicarboxylic acid, propanediolic acid, usaf ek-695 PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

Alfa Aesar™ Ethyl hydrogen malonate, 96%

CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: 2-ethoxycarbonyl acetic acid, 3-ethoxy-3-oxo-propanoic acid, ethoxycarbonyl acetic acid, ethyl hydrogen malonate, ethylhydrogenmalonate, malonic acid monoethyl ester, mono-ethyl malonate, monoethyl hydrogen malonate, monoethyl malonate, monoethyl malonic acid PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O

Dibenzyl Malonate 95.0+%, TCI America™

CAS: 15014-25-2 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.311 MDL Number: MFCD00004779 InChI Key: RYFCSKVXWRJEOB-UHFFFAOYSA-N Synonym: 1,3-dibenzyl propanedioate, acmc-209d3u, dibenzyl malonate, diphenylmethyl propane-1,3-dioate, malonic acid dibenzyl, malonic acid dibenzyl ester, propanedioic acid, 1,3-bis phenylmethyl ester, propanedioic acid, 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

Dimethyl Malonate 98.0+%, TCI America™

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

Ethyl 2-oxocyclohexanecarboxylate, 95%, ACROS Organics™

CAS: 1655-07-8 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00001631 InChI Key: FGSGHBPKHFDJOP-UHFFFAOYSA-N Synonym: 2-carbethoxycyclohexanone, 2-cyclohexanonecarboxylic acid ethyl ester, 2-ethoxycarbonyl cyclohexanone, 2-oxocyclohexanecarboxylic acid ethyl ester, cyclohexanecarboxylic acid, 2-oxo-, ethyl ester, ethyl 2-cyclohexanonecarboxylate, ethyl 2-oxo-1-cyclohexanecarboxylate, ethyl 2-oxocyclohexanecarboxylate, ethyl 2-oxocylohexanecarboxylate, ethyl cyclohexanone-2-carboxylate PubChem CID: 95543 IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCCCC1=O

Dihexyl Malonate 98.0+%, TCI America™

CAS: 1431-37-4 Molecular Formula: C15H28O4 Molecular Weight (g/mol): 272.385 MDL Number: MFCD06797099 InChI Key: MQXAJNXSULJYCY-UHFFFAOYSA-N Synonym: Malonic Acid Dihexyl Ester PubChem CID: 9835215 IUPAC Name: dihexyl propanedioate SMILES: CCCCCCOC(=O)CC(=O)OCCCCCC

Diethyl Butylmalonate 99.0+%, TCI America™

CAS: 133-08-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00009170 InChI Key: RPNFNBGRHCUORR-UHFFFAOYSA-N Synonym: butylmalonic acid diethyl ester, cyy2q744wb, diethyl 2-butylmalonate, diethyl butylmalonate, diethyl n-butylmalonate, ethyl butylmalonate, malonic acid, butyl-, diethyl ester, n-butylmalonic acid diethyl ester, propanedioic acid, butyl-, diethyl ester, unii-cyy2q744wb PubChem CID: 67244 IUPAC Name: diethyl 2-butylpropanedioate SMILES: CCCCC(C(=O)OCC)C(=O)OCC

Malonyl Chloride 97.0+%, TCI America™

CAS: 1663-67-8 Molecular Formula: C3H2Cl2O2 Molecular Weight (g/mol): 140.947 MDL Number: MFCD00000735 InChI Key: SXYFKXOFMCIXQW-UHFFFAOYSA-N Synonym: malonic acid chloride, malonic acid dichloride, malonoyl chloride, malonoyl dichloride, malonyl chloride, malonyl dichloride, malonylchlorid, malonylchloride, malonyldichloride, methane-1,1-dicarbonyl chloride PubChem CID: 74269 IUPAC Name: propanedioyl dichloride SMILES: C(C(=O)Cl)C(=O)Cl

Ethyl 2-Oxocyclohexanecarboxylate 95.0+%, TCI America™

CAS: 1655-07-8 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.208 MDL Number: MFCD00001631 InChI Key: FGSGHBPKHFDJOP-UHFFFAOYSA-N Synonym: 2-carbethoxycyclohexanone, 2-cyclohexanonecarboxylic acid ethyl ester, 2-ethoxycarbonyl cyclohexanone, 2-oxocyclohexanecarboxylic acid ethyl ester, cyclohexanecarboxylic acid, 2-oxo-, ethyl ester, ethyl 2-cyclohexanonecarboxylate, ethyl 2-oxo-1-cyclohexanecarboxylate, ethyl 2-oxocyclohexanecarboxylate, ethyl 2-oxocylohexanecarboxylate, ethyl cyclohexanone-2-carboxylate PubChem CID: 95543 IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCCCC1=O

Dibutyl Malonate 99.0+%, TCI America™

CAS: 1190-39-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00053795 InChI Key: NFKGQHYUYGYHIS-UHFFFAOYSA-N Synonym: Malonic Acid Dibutyl Ester PubChem CID: 136925 IUPAC Name: dibutyl propanedioate SMILES: CCCCOC(=O)CC(=O)OCCCC

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: 1,3-diethyl 2-methylpropanedioate, 2-methylmalonic acid diethyl, diethyl 2-methylmalonate, diethyl methylmalonate, diethyl methylpropanedioate, diethylmethylmalonate, ethyl methylmalonate, malonic acid, methyl-, diethyl ester, methylmalonic acid diethyl ester, propanedioic acid, methyl-, diethyl ester PubChem CID: 11857 IUPAC Name: diethyl 2-methylpropanedioate SMILES: CCOC(=O)C(C)C(=O)OCC

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: ac-benzyl, acetoacetic acid benzyl ester, acetoacetic acid, benzyl ester, benzyl acetoacetate, benzyl acetylacetate, benzyl beta-ketobutyrate, butanoic acid, 3-oxo-, phenylmethyl ester, f9s0xgv18x, phenylmethyl 3-oxobutanoate, unii-f9s0xgv18x PubChem CID: 142266 IUPAC Name: benzyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=CC=C1

Ethyl Acetoacetate, ≥99%, Alfa Aesar™

CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: 3-oxo-butyric acid ethyl ester, 3-oxobutanoic acid ethyl ester, acetoacetic acid, ethyl ester, active acetylacetate, butanoic acid, 3-oxo-, ethyl ester, diacetic ether, ethyl 3-oxobutyrate, ethyl acetoacetate, ethyl acetylacetate, ethyl acetylacetonate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

Methylmalonic Acid 98.0+%, TCI America™

CAS: 516-05-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.088 MDL Number: MFCD00002656 InChI Key: ZIYVHBGGAOATLY-UHFFFAOYSA-N Synonym: 1,1-ethanedicarboxylic acid, 2-methylmalonic acid, isosuccinic acid, malonic acid, methyl, methyl malonic acid, methylmalonate, methylmalonic acid, methylpropanedioic acid, propanedioic acid, methyl, unii-8ll8s712j7 PubChem CID: 487 ChEBI: CHEBI:30860 IUPAC Name: 2-methylpropanedioic acid SMILES: CC(C(=O)O)C(=O)O

Diethyl Malonate, TCI America™

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

Diethyl Methylmalonate 98.0+%, TCI America™

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

Diethyl Isopropylmalonate 98.0+%, TCI America™

CAS: 759-36-4 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00040491 InChI Key: BYQFBFWERHXONI-UHFFFAOYSA-N Synonym: 1,3-diethyl 2-isopropylpropanedioate, 1,3-diethyl 2-propan-2-yl propanedioate, 2-isopropyl-malonic acid diethyl ester, diethyl 2-isopropylmalonate, diethyl isopropylmalonate, diethylisopropylmalonate, ethyl isopropylmalonate, isopropyl diethyl malonate, isopropylmalonic acid diethyl ester, propanedioic acid, 1-methylethyl-, diethyl ester PubChem CID: 12966 IUPAC Name: diethyl 2-propan-2-ylpropanedioate SMILES: CCOC(=O)C(C(C)C)C(=O)OCC

Methylmalonic acid, 96%, ACROS Organics™

CAS: 516-05-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00002656 InChI Key: ZIYVHBGGAOATLY-UHFFFAOYSA-N Synonym: 1,1-ethanedicarboxylic acid, 2-methylmalonic acid, isosuccinic acid, malonic acid, methyl, methyl malonic acid, methylmalonate, methylmalonic acid, methylpropanedioic acid, propanedioic acid, methyl, unii-8ll8s712j7 PubChem CID: 487 ChEBI: CHEBI:30860 IUPAC Name: 2-methylpropanedioic acid SMILES: CC(C(=O)O)C(=O)O

Alfa Aesar™ Ethyl 2-oxocyclopentanecarboxylate, 97+%

CAS: 611-10-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.181 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N Synonym: .alpha.-carboethoxy cyclopentanone, 2-carbethoxycyclopentanone, 2-ethoxycarbonyl cyclopentanone, cyclopentanecarboxylic acid, 2-oxo-, ethyl ester, cyclopentanone-2-carboxylic acid ethyl ester, ethyl 2-cyclopentanone-1-carboxylate, ethyl 2-cyclopentanonecarboxylate, ethyl 2-oxocyclopentanecarboxylate, ethyl cyclopentanone-2-carboxylate, ethyl2-oxocyclopentanecarboxylate PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=O

Dimethyl malonate, 99+%, ACROS Organics™

CAS: 108-59-8 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.12 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: 1,3-dimethyl propanedioate, ccris 8981, dimethyl 1,3-propanedioate, dimethyl malonate, malonic acid dimethyl ester, malonic acid, dimethyl ester, methyl malonate, propanedioic acid dimethyl ester, propanedioic acid, dimethyl ester, unii-em8y79998c PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC

Ethyl 2-oxocyclopentanecarboxylate, 95+%, ACROS Organics™

CAS: 611-10-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.18 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N Synonym: .alpha.-carboethoxy cyclopentanone, 2-carbethoxycyclopentanone, 2-ethoxycarbonyl cyclopentanone, cyclopentanecarboxylic acid, 2-oxo-, ethyl ester, cyclopentanone-2-carboxylic acid ethyl ester, ethyl 2-cyclopentanone-1-carboxylate, ethyl 2-cyclopentanonecarboxylate, ethyl 2-oxocyclopentanecarboxylate, ethyl cyclopentanone-2-carboxylate, ethyl2-oxocyclopentanecarboxylate PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=O

tert-Butyl acetoacetate, 97%, ACROS Organics™

CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Synonym: 1d3dos61gx, acetoacetic acid tert-butyl ester, acetoacetic acid, tert-butyl ester, butanoic acid, 3-oxo-, 1,1-dimethylethyl ester, t-butyl acetoacetate, t-butylacetoacetate, tbaa, tert-butyl 3-oxobutyrate, tert-butyl acetoacetate, unii-1d3dos61gx PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C

Ethyl acetoacetate, 99+%, extra 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: 3-oxo-butyric acid ethyl ester, 3-oxobutanoic acid ethyl ester, acetoacetic acid, ethyl ester, active acetylacetate, butanoic acid, 3-oxo-, ethyl ester, diacetic ether, ethyl 3-oxobutyrate, ethyl acetoacetate, ethyl acetylacetate, ethyl acetylacetonate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)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: 1,3-diethyl propanedioate, carbethoxyacetic ester, dicarbethoxymethane, diethyl malonate, ethyl malonate van, ethyl propanedioate, malonic acid diethyl ester, malonic acid, diethyl ester, malonic ester, propanedioic acid, diethyl ester PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

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