Cyclohexanone, 2-[(S)-hydroxy(4-nitrophenyl)methyl]-, (2S)-

Base Information

Chemical Name:Cyclohexanone, 2-[(S)-hydroxy(4-nitrophenyl)methyl]-, (2S)-
CAS No.:501417-28-3
Molecular Formula:C13H15NO4
Molecular Weight:249.266
Hs Code.:
DSSTox Substance ID:DTXSID90468312
Nikkaji Number:J717.224I
Wikidata:Q82295473

Synonyms:501417-28-3;Cyclohexanone, 2-[(S)-hydroxy(4-nitrophenyl)methyl]-, (2S)-;SCHEMBL18058719;DTXSID90468312

Suppliers and Price of Cyclohexanone, 2-[(S)-hydroxy(4-nitrophenyl)methyl]-, (2S)-

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of Cyclohexanone, 2-[(S)-hydroxy(4-nitrophenyl)methyl]-, (2S)-

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:317

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Cyclohexanone, 2-[(S)-hydroxy(4-nitrophenyl)methyl]-, (2S)-

There total 34 articles about Cyclohexanone, 2-[(S)-hydroxy(4-nitrophenyl)methyl]-, (2S)- 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: 82.0%

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

: 555-16-8
4-nitrobenzaldehdye

: 501417-28-3
(2S)-2-[(S)-hydroxy(4-nitrophenyl)methyl]cyclohexanone

: 351533-35-2
(2S,1'R)-2-[1'-hydroxy-1'-(4-nitrophenyl)methyl]cyclohexan-1-one

Guidance literature:: polystyrene-supported L-proline; In water; at 20 ℃; for 22h; Further Variations:; Solvents; Product distribution;
DOI:10.1002/ejoc.200700586

Reference yield: 72.0%

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

: 555-16-8
4-nitrobenzaldehdye

: 501417-28-3
(2S)-2-[(S)-hydroxy(4-nitrophenyl)methyl]cyclohexanone

Guidance literature:: With 2Zn⁽²⁺⁾*2C₁₂H₆O₄^(2-)*C₂₁H₂₀N₄O; In N,N-dimethyl-formamide; at 40 ℃; for 120h;
DOI:10.1016/j.inoche.2020.108052

Reference yield: 55.0%

: 71444-29-6
(2RS)-2-[(RS)-hydroxy-(4-nitrophenyl)methyl]cyclohexanone

: 501417-28-3
(2S)-2-[(S)-hydroxy(4-nitrophenyl)methyl]cyclohexanone

Guidance literature:: With (1R,2R)-2-(diethylamino)cyclohexanaminium trifluoromethanesulfonate; acetone; at 50 ℃; for 36h; optical yield given as %ee; enantioselective reaction; Ionic liquid;
DOI:10.1039/c0ob00682c