2alpha-[(R)-3-Nitro-alpha-hydroxybenzyl]cyclohexanone

Base Information

Chemical Name:2alpha-[(R)-3-Nitro-alpha-hydroxybenzyl]cyclohexanone
CAS No.:877032-07-0
Molecular Formula:C13H15NO4
Molecular Weight:249.266
Hs Code.:
DSSTox Substance ID:DTXSID90590844
Nikkaji Number:J1.894.957A
Wikidata:Q82484469

Synonyms:877032-07-0;2alpha-[(R)-3-Nitro-alpha-hydroxybenzyl]cyclohexanone;DTXSID90590844;(2S)-2-[(R)-hydroxy-(3-nitrophenyl)methyl]cyclohexan-1-one

Suppliers and Price of 2alpha-[(R)-3-Nitro-alpha-hydroxybenzyl]cyclohexanone

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of 2alpha-[(R)-3-Nitro-alpha-hydroxybenzyl]cyclohexanone

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:249.10010796
Heavy Atom Count:18
Complexity:325

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2alpha-[(R)-3-Nitro-alpha-hydroxybenzyl]cyclohexanone

There total 33 articles about 2alpha-[(R)-3-Nitro-alpha-hydroxybenzyl]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: 99.0%

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

: 99-61-6
3-nitro-benzaldehyde

: 877032-07-0
(S)-2-[(R)-hydroxyl(3-nitrophenyl)methyl]cyclohexanone

Guidance literature:: With trifluoroacetic acid; In toluene; at 0 ℃; for 3h;
DOI:10.1055/s-2006-950431

Reference yield: 98.0%

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

: 99-61-6
3-nitro-benzaldehyde

: (R)-2-[(S)-hydroxy(3-nitrophenyl)methyl]cyclohexan-1-one

: 877032-07-0
(S)-2-[(R)-hydroxyl(3-nitrophenyl)methyl]cyclohexanone

Guidance literature:: With C₁₉H₂₂N₂O₃; benzoic acid; In water; at 20 ℃; for 0.5h; stereoselective reaction; Milling;
DOI:10.1016/j.tetlet.2015.01.079

Reference yield: 95.0%

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

: 99-61-6
3-nitro-benzaldehyde

: 877032-07-0
(S)-2-[(R)-hydroxyl(3-nitrophenyl)methyl]cyclohexanone

: 159208-44-3
2-(hydroxy-(3-nitrophenyl)methyl)cyclohexan-1-one

Guidance literature:: cyclohexanone; With formic acid; C₃₄H₃₆N₁₀O₄; benzoic acid; In water; at 20 ℃; for 0.5h; Inert atmosphere; Green chemistry;

3-nitro-benzaldehyde; In water; at 20 ℃; for 30h; Overall yield = 94 %; Overall yield = 23.4 mg; stereoselective reaction; Inert atmosphere; Green chemistry;
DOI:10.1002/adsc.201200856