(S)-5-(Chloromethyl)pyrrolidin-2-one

Base Information

Chemical Name:(S)-5-(Chloromethyl)pyrrolidin-2-one
CAS No.:72479-04-0
Molecular Formula:C5H8ClNO
Molecular Weight:133.578
Hs Code.:
DSSTox Substance ID:DTXSID00503703
Wikidata:Q82357709
Mol file:72479-04-0.mol

Synonyms:72479-04-0;(S)-5-(CHLOROMETHYL)PYRROLIDIN-2-ONE;(5S)-5-(Chloromethyl)pyrrolidin-2-one;SCHEMBL9864804;DTXSID00503703;AKOS006330048

Suppliers and Price of (S)-5-(Chloromethyl)pyrrolidin-2-one

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

American Custom Chemicals Corporation
(5S)-5-(CHLOROMETHYL)-2-PYRROLIDINONE 95.00%
5MG
$ 499.26

AccelPharmtech
(5S)-5-(chloromethyl)-2-Pyrrolidinone 97.00%
25G
$ 4320.00

AccelPharmtech
(5S)-5-(chloromethyl)-2-Pyrrolidinone 97.00%
5G
$ 2330.00

AccelPharmtech
(5S)-5-(chloromethyl)-2-Pyrrolidinone 97.00%
1G
$ 2070.00

Total 1 raw suppliers

Chemical Property of (S)-5-(Chloromethyl)pyrrolidin-2-one

Chemical Property:

Melting Point:55 - 56 °C
PSA：29.10000
LogP:0.83260
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:133.0294416
Heavy Atom Count:8
Complexity:105

Purity/Quality:: (5S)-5-(CHLOROMETHYL)-2-PYRROLIDINONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(=O)NC1CCl
Isomeric SMILES:C1CC(=O)N[C@@H]1CCl

Technology Process of (S)-5-(Chloromethyl)pyrrolidin-2-one

There total 4 articles about (S)-5-(Chloromethyl)pyrrolidin-2-one 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: 86.0%

: 17342-08-4
(S)-Pyroglutaminol

: 72479-04-0
(-)-(5S)-5-(Chloromethyl)-2-pyrrolidinone

Guidance literature:: With triphenylphosphine; In tetrachloromethane; chloroform; at 55 ℃; for 6h;
DOI:10.1021/jo01293a011

Reference yield: 51.0%

: (1S)-1-Cyclohexyl-1-(tetrahydropyran-2-yloxy)-2-propyne

: (-)-(5S)-1-Aza-1-<(1'S,4'R)-4'-<(tert-butyldimethylsilyl)oxy>-2'-(phenylsulfonyl)-2'-cyclopentenyl>-5-(chloromethyl)-2-cyclopentanone

: 72479-04-0
(-)-(5S)-5-(Chloromethyl)-2-pyrrolidinone

: (-)-(1R,2S)-1-<(tert-Butyldimethylsilyl)oxy>-2-<1'-cyclohexyl-1'-(tetrahydropyranyloxy)prop-2'-yn-3'-yl>-3-(phenylsulfonyl)cyclopentene

: (-)-(2S,4R,5S(1'S),6S,8S)-1-Aza-4-<(tert-butyldimethylsilyl)oxy>-5-<1'-cyclohexyl-1'-(tetrahydropyranyloxy)prop-2'-yn-3'-yl>-6-(phenylsulfonyl)tricyclo<6.3.0.0^2,6>undecan-11-one

Guidance literature:: With n-butyllithium; In N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether; hexane; 1.) 0 deg C, 5 min; r.t., 5 min, 2.) -30 deg C, 15 min;
DOI:10.1021/jo00114a016

Reference yield:

: 7149-65-7
ethyl (S)-pyroglutamate

: 72479-04-0
(-)-(5S)-5-(Chloromethyl)-2-pyrrolidinone

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / NaBH₄ / methanol; tetrahydrofuran / 1 h / 5 °C

2: 58 percent / mesyl chloride / dimethylformamide / 16 h / 65 °C

With sodium tetrahydroborate; methanesulfonyl chloride; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1021/jo00033a044