3alpha-Butyloxirane-2beta-carboxylic acid ethyl ester

Base Information

Chemical Name:3alpha-Butyloxirane-2beta-carboxylic acid ethyl ester
CAS No.:139618-55-6
Molecular Formula:C₉H₁₆O₃
Molecular Weight:172.224
Hs Code.:
European Community (EC) Number:604-152-4
DSSTox Substance ID:DTXSID701249490
Nikkaji Number:J515.767F

Synonyms:DTXSID701249490;rel-Ethyl (2R,3S)-3-butyl-2-oxiranecarboxylate;3alpha-Butyloxirane-2beta-carboxylic acid ethyl ester;139618-55-6

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Chemical Property of 3alpha-Butyloxirane-2beta-carboxylic acid ethyl ester

Chemical Property:

Vapor Pressure:0.245mmHg at 25°C
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:172.109944368
Heavy Atom Count:12
Complexity:156

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCC1C(O1)C(=O)OCC
Isomeric SMILES:CCCC[C@H]1[C@@H](O1)C(=O)OCC

Technology Process of 3alpha-Butyloxirane-2beta-carboxylic acid ethyl ester

There total 2 articles about 3alpha-Butyloxirane-2beta-carboxylic acid ethyl 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: 68.0%

: 54340-72-6
ethyl (E)-2-heptenoate

: 139618-55-6,145552-32-5
Ethyl trans-3-butyloxirane-2-carboxylate

Guidance literature:: With 6,6'-di-tert-butyl-4,4'-thiodi-o-cresol; 3-chloro-benzenecarboperoxoic acid; In 1,2-dichloro-ethane; 1) reflux, 4 h, 2) reflux, overnight;
DOI:10.1002/recl.19921110101

Reference yield:

: 110-62-3
pentanal

: 139618-55-6,145552-32-5
Ethyl trans-3-butyloxirane-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 1) NaH / 1) DME, 1 h, 2) overnight

2: 68 percent / 3-chloroperbenzoic acid, bis(3-tert-butyl-4-hydroxy-5-methylphenyl)sulfide / 1,2-dichloro-ethane / 1) reflux, 4 h, 2) reflux, overnight

With 6,6'-di-tert-butyl-4,4'-thiodi-o-cresol; sodium hydride; 3-chloro-benzenecarboperoxoic acid; In 1,2-dichloro-ethane;
DOI:10.1002/recl.19921110101