Ethyl 3-acetyl-4-oxopentanoate

Base Information

• Chemical Name: Ethyl 3-acetyl-4-oxopentanoate
• CAS No.: 18835-02-4
• Molecular Formula: C9H14 O4
• Molecular Weight: 186.208
• Hs Code.: 2918300090
• European Community (EC) Number: 688-128-9
• UNII: 4GJG1YUM53
• DSSTox Substance ID: DTXSID5044863
• Nikkaji Number: J82.803C
• Wikidata: Q27259567
• ChEMBL ID: CHEMBL3560165
• Mol file: 18835-02-4.mol

Synonyms:Ethyl 3-acetyl-4-oxopentanoate;18835-02-4;Ethyl 3-acetyllevulinate;ethyl 3-acetyl-4-oxo-pentanoate;Pentanoic acid, 3-acetyl-4-oxo-, ethyl ester;UNII-4GJG1YUM53;4GJG1YUM53;3-acetyl-4-oxopentanoic acid ethyl ester;DTXSID5044863;3-acetyl-4-oxo-pentanoic acid ethyl ester;ethyl 3-acetyl-4-oxo-valerate;ethyl-3-acetyl-4-oxopentanoate;ethyl3-acetyl-4-oxo-pentanoate;SCHEMBL1194353;CHEMBL3560165;DTXCID3024863;Ethyl 3-acetyl-4-oxopentanoate #;AMY22706;Tox21_301225;AC4996;BBL030510;MFCD06384307;STK801486;AKOS004115441;3,3-diacetyl-propionic acid-ethyl ester;NCGC00256034-01;J82.803C;SY021063;VS-09858;CAS-18835-02-4;CS-0206366;FT-0711183;EN300-12174;LEVULINIC ACID, 3-ACETYL-, ETHYL ESTER;ETHYL .BETA.',.BETA.-DIACETYLPROPIONATE;3-acetyl-4-oxo-pentanoic acid ethyl ester AldrichCPR;3-acetyl-4-oxo-pentanoic acid ethyl ester, AldrichCPR;Q27259567;Z85917522

Chemical Property of Ethyl 3-acetyl-4-oxopentanoate

Chemical Property:

• Vapor Pressure: 7.32E-06mmHg at 25°C
• Boiling Point: 286.2°Cat760mmHg
• Flash Point: 123.2°C
• PSA: 60.44000
• Density: 1.062g/cm³
• LogP: 0.73380
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 186.08920892
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-acetyl-4-oxopentanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC(C(=O)C)C(=O)C

Technology Process of Ethyl 3-acetyl-4-oxopentanoate

There total 9 articles about Ethyl 3-acetyl-4-oxopentanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

ethyl bromoacetate (105-36-2) + acetylacetone (123-54-6,81235-32-7) → ethyl 3-acetyl-4-oxopentanoate (18835-02-4)

Guidance literature:

acetylacetone; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 1h;

ethyl bromoacetate; In tetrahydrofuran; mineral oil; for 18h;

Reference yield: 6.0%

ethyl bromoacetate (105-36-2) + acetylacetone (123-54-6,81235-32-7) → ethyl 3-acetyl-4-oxopentanoate (18835-02-4) + ((E)-1-Methyl-3-oxo-but-1-enyloxy)-acetic acid ethyl ester (131376-80-2) + (E)-3-Acetyl-4-ethoxycarbonylmethoxy-pent-3-enoic acid ethyl ester (131376-81-3)

Guidance literature:

With potassium carbonate; caesium carbonate; In dichloromethane; for 12h; Ambient temperature;

Reference yield:

ethyl bromoacetate (105-36-2) + 3,5-heptanedione (7424-54-6) → ethyl 3-acetyl-4-oxopentanoate (18835-02-4)

Guidance literature:

ethyl bromoacetate; 3,5-heptanedione; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; Inert atmosphere;

In tetrahydrofuran; for 18h; Reflux; Inert atmosphere;

DOI:10.1080/00397911.2013.786091

upstream raw materials:

sodium acetoacetonate

chloroacetic acid ethyl ester

ethyl bromoacetate

acetylacetone

Downstream raw materials:

3,5-dimethyl-2-ethoxycarbonyl-1H-pyrrole-4-acetic acid ethyl ester

N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazol-4-yl]acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetamide

ethyl {3,5-dimethyl-1-[4-(1-piperidinylcarbonyl)phenyl]-1H-pyrazol-4-yl}acetate