(S)-3-Oxopentan-2-yl benzoate

Base Information

Chemical Name:(S)-3-Oxopentan-2-yl benzoate
CAS No.:160666-92-2
Molecular Formula:C12H14O3
Molecular Weight:206.241
Hs Code.:
DSSTox Substance ID:DTXSID10455042
Nikkaji Number:J1.274.928G
Wikidata:Q82276885
Mol file:160666-92-2.mol

Synonyms:160666-92-2;(S)-3-Oxopentan-2-yl benzoate;(2S)-2-(benzoyloxy)-3-Pentanone;SCHEMBL1194199;DTXSID10455042;(2S)-3-Oxopentan-2-yl benzoate;(S)-2-(Benzoyloxy)-3-pentanone;A23120

Suppliers and Price of (S)-3-Oxopentan-2-yl benzoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of (S)-3-Oxopentan-2-yl benzoate

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:206.094294304
Heavy Atom Count:15
Complexity:229

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(=O)C(C)OC(=O)C1=CC=CC=C1
Isomeric SMILES:CCC(=O)[C@H](C)OC(=O)C1=CC=CC=C1

Technology Process of (S)-3-Oxopentan-2-yl benzoate

There total 5 articles about (S)-3-Oxopentan-2-yl benzoate 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: 50.0%

: 27871-49-4,2155-30-8
(S)-Methyl lactate

: 925-90-6
ethylmagnesium bromide

: 6638-79-5
N,O-dimethylhydroxylamine*hydrochloride

: 93-97-0
benzoic acid anhydride

: 160666-92-2
(S)-2-benzoyloxypentan-3-one

Guidance literature:: (S)-Methyl lactate; N,O-dimethylhydroxylamine*hydrochloride; With isopropylmagnesium chloride; In tetrahydrofuran; at -20 - 0 ℃; for 1h; Inert atmosphere;

ethylmagnesium bromide; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 1h; Inert atmosphere;

benzoic acid anhydride; With dmap; N-ethyl-N,N-diisopropylamine; at 20 ℃; for 15h; Inert atmosphere;
DOI:10.1021/acs.joc.6b03060

Reference yield: 40.0%

: 925-90-6
ethylmagnesium bromide

: 93-97-0
benzoic acid anhydride

: 177905-46-3
(S)-2-hydroxy-N-methoxy-N-methyl-propionamide

: 160666-92-2
(S)-2-benzoyloxypentan-3-one

Guidance literature:: ethylmagnesium bromide; (S)-2-hydroxy-N-methoxy-N-methyl-propionamide; In tetrahydrofuran; diethyl ether; at 0 - 23 ℃; for 1h; Schlenk technique;

benzoic acid anhydride; With dmap; triethylamine; In tetrahydrofuran; diethyl ether; for 20h; Schlenk technique;
DOI:10.1021/acs.orglett.8b03715

Reference yield:

: 125948-63-2
(S)-2-hydroxypentan-⁽³⁾-one

: 93-97-0
benzoic acid anhydride

: 160666-92-2
(S)-2-benzoyloxypentan-3-one

Guidance literature:: With dmap; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 15h; Yield given;
DOI:10.1016/0040-4039(94)88434-X