(-)-(2S)-[(R)-4-chloro-alpha-(nitromethyl)benzyl]cyclohexanone

Base Information

Chemical Name:(-)-(2S)-[(R)-4-chloro-alpha-(nitromethyl)benzyl]cyclohexanone
CAS No.:83976-44-7
Molecular Formula:C14H16ClNO3
Molecular Weight:281.739
Hs Code.:
DSSTox Substance ID:DTXSID20457714
Nikkaji Number:J2.177.256I
Wikidata:Q82280671

Synonyms:83976-44-7;SCHEMBL10491674;DTXSID20457714;QIVDWZOPTYQWQB-STQMWFEESA-N;(-)-(2S)-[(R)-4-chloro-alpha-(nitromethyl)benzyl]cyclohexanone;(2S)-2-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]cyclohexan-1-one;(s)-2-[(r)-1-(4-chlorophenyl)-2-nitroethyl]-cyclohexanone;2alpha-[(R)-alpha-(Nitromethyl)-4-chlorobenzyl]cyclohexanone

Suppliers and Price of (-)-(2S)-[(R)-4-chloro-alpha-(nitromethyl)benzyl]cyclohexanone

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (-)-(2S)-[(R)-4-chloro-alpha-(nitromethyl)benzyl]cyclohexanone

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:281.0818711
Heavy Atom Count:19
Complexity:334

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(=O)C(C1)C(C[N+](=O)[O-])C2=CC=C(C=C2)Cl
Isomeric SMILES:C1CCC(=O)[C@@H](C1)[C@@H](C[N+](=O)[O-])C2=CC=C(C=C2)Cl

Technology Process of (-)-(2S)-[(R)-4-chloro-alpha-(nitromethyl)benzyl]cyclohexanone

There total 25 articles about (-)-(2S)-[(R)-4-chloro-alpha-(nitromethyl)benzyl]cyclohexanone 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: 100.0%

: 101671-01-6,5153-70-8
1-nitro-2-(4-chlorophenyl)ethylene

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 83976-44-7
(S)-2-((R)-1-(4-chlorophenyl)-2-nitroethyl)cyclohexanone

Guidance literature:: With 1-butyl-3-[(S-pyrrolidin-2-ylmethyl)]-3H-imidazol-1-ium BF₄; at 20 ℃; for 10h;
DOI:10.1002/anie.200600048

Reference yield: 99.0%

: 706-07-0,5153-70-8
1-chloro-4-(2-nitrovinyl)benzene

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 83976-44-7
(S)-2-((R)-1-(4-chlorophenyl)-2-nitroethyl)cyclohexanone

Guidance literature:: With 2-(((S)-pyrrolidin-2-yl)methoxy)pyridine; β-naphthol; In tetrahydrofuran; at 20 ℃; for 12h; optical yield given as %ee; enantioselective reaction;
DOI:10.1002/ejoc.200900716

Reference yield: 86.0%

: 101671-01-6,5153-70-8
1-nitro-2-(4-chlorophenyl)ethylene

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: (R*)-2-((R*)-1-(4-chlorophenyl)-2-nitroethyl)cyclohexan-1-one

: 83976-44-7
(S)-2-((R)-1-(4-chlorophenyl)-2-nitroethyl)cyclohexanone

Guidance literature:: With C₇H₁₅N₅O₂; benzoic acid; In 1,2-dichloro-ethane; at 20 ℃; for 28h; optical yield given as %ee; enantioselective reaction;
DOI:10.5012/bkcs.2010.31.5.1280