Butyric acid, 2,3-epoxy-, butyl ester

Base Information

• Chemical Name: Butyric acid, 2,3-epoxy-, butyl ester
• CAS No.: 10138-34-8
• Molecular Formula: C₈H₁₄O₃
• Molecular Weight: 158.197
• UNII: 6J8O32Z8PM
• DSSTox Substance ID: DTXSID00906098
• Nikkaji Number: J35.104K
• Wikidata: Q27264994
• Mol file: 10138-34-8.mol

Synonyms:Butyric acid, 2,3-epoxy-, butyl ester;2,3-Epoxbutyl 2,3-epoxybutyrate;2,3-Epoxybutyric acid, butyl ester;BRN 4970747;6J8O32Z8PM;10138-34-8;2,3-Epoxybutyric acid butyl ester;Oxiranecarboxylic acid, 3-methyl-, butyl ester;butyl 3-methyloxirane-2-carboxylate;UNII-6J8O32Z8PM;SCHEMBL9566682;DTXSID00906098;LS-47998;FT-0695849;Q27264994;2-OXIRANECARBOXYLIC ACID, 3-METHYL-, BUTYL ESTER

Chemical Property of Butyric acid, 2,3-epoxy-, butyl ester

Chemical Property:

• Vapor Pressure: 0.741mmHg at 25°C
• Boiling Point: 184.2°Cat760mmHg
• Flash Point: 67.2°C
• Density: 1.044g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOC(=O)C1C(O1)C

Technology Process of Butyric acid, 2,3-epoxy-, butyl ester

There total 2 articles about Butyric acid, 2,3-epoxy-, butyl ester 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: 61.0%

trans-crotonic acid butyl ester (591-63-9) → (2S,3R)-3-Methyl-oxirane-2-carboxylic acid butyl ester (10138-34-8,111832-25-8)

Guidance literature:

With tert.-butylhydroperoxide; methyllithium; In tetrahydrofuran; hexane; benzene; at -78 - 20 ℃; for 16h;

DOI:10.1039/P19880002663

Reference yield: 15.0%

crotonic acid sec-butyl ester (10371-45-6) → tert-butyl-trans-3-methyloxirane-2-carboxylate (119162-95-7,136805-89-5,136805-90-8) + (2R,3S)-3-Methyl-oxirane-2-carboxylic acid sec-butyl ester + (2S,3R)-3-Methyl-oxirane-2-carboxylic acid butyl ester (10138-34-8,111832-25-8)

Guidance literature:

With tert.-butylhydroperoxide; n-butyllithium; In tetrahydrofuran; hexane; benzene; at -78 - -20 ℃; for 20h;

DOI:10.1039/P19880002663

upstream raw materials:

crotonic acid sec-butyl ester

trans-crotonic acid butyl ester