Cyclohexaneacetic acid, 2-oxo-, methyl ester, (1S)-

Base Information

Chemical Name:Cyclohexaneacetic acid, 2-oxo-, methyl ester, (1S)-
CAS No.:204447-94-9
Molecular Formula:C9H14O3
Molecular Weight:170.208
Hs Code.:
DSSTox Substance ID:DTXSID10485364
Nikkaji Number:J921.749E
Wikidata:Q82324481

Synonyms:Cyclohexaneacetic acid, 2-oxo-, methyl ester, (1S)-;204447-94-9;DTXSID10485364

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Cyclohexaneacetic acid, 2-oxo-, methyl ester, (1S)-

Chemical Property:

XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:170.094294304
Heavy Atom Count:12
Complexity:186

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CC1CCCCC1=O
Isomeric SMILES:COC(=O)C[C@@H]1CCCCC1=O

Technology Process of Cyclohexaneacetic acid, 2-oxo-, methyl ester, (1S)-

There total 5 articles about Cyclohexaneacetic acid, 2-oxo-, methyl ester, (1S)- 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: 90.0%

: (1R,6S,7S)-1-Triisopropylsilanyloxy-bicyclo[4.1.0]heptane-7-carboxylic acid methyl ester

: 204447-94-9
methyl (S)-(-)-(2-oxocycloxehyl)acetate

Guidance literature:: With pyridine; hydrogen fluoride; In dichloromethane; at -78 ℃;
DOI:10.1016/S0040-4020(98)00499-2

Reference yield:

: 80522-46-9
1-triisopropylsiloxy-1-cyclohexene

: 204447-94-9
methyl (S)-(-)-(2-oxocycloxehyl)acetate

Guidance literature:: Multi-step reaction with 2 steps

1: 2,2,6,6-tetramethylpiperidine / Copper(I) triflate; 2,2-Bis[(4S)-4,5-dihydro-4-(2-trimethylsilyloxyprop-2-yl]... / CHCl₃

2: 90 percent / HF; Pyridine / CH₂Cl₂ / -78 °C

With pyridine; 2,2,6,6-tetramethyl-piperidine; hydrogen fluoride; 2,2-Bis[(4S)-4,5-dihydro-4-(2-trimethylsilyloxyprop-2-yl]..; copper(I) triflate; In dichloromethane; chloroform; 1: cyclopropanation / 2: Ring cleavage;
DOI:10.1016/S0040-4020(98)00499-2

Reference yield:

: methyl (E)-2-(2-oxocyclohexylidene)acetate

: 130721-17-4
((R)-2-Oxo-cyclohexyl)-acetic acid methyl ester

: 204447-94-9
methyl (S)-(-)-(2-oxocycloxehyl)acetate

Guidance literature:: With NADH; In aq. buffer; at 30 ℃; for 24h; pH=7.5; enantioselective reaction; Enzymatic reaction;
DOI:10.1039/c6gc02493a