2-[(4-Nitrophenyl)thio]cyclohexanone

Base Information

Chemical Name:2-[(4-Nitrophenyl)thio]cyclohexanone
CAS No.:14146-10-2
Molecular Formula:C₁₂H₁₃NO₃S
Molecular Weight:251.306
Hs Code.:
DSSTox Substance ID:DTXSID201290731
Nikkaji Number:J1.520.970D

Synonyms:2-[(4-Nitrophenyl)thio]cyclohexanone;14146-10-2;DTXSID201290731

Suppliers and Price of 2-[(4-Nitrophenyl)thio]cyclohexanone

Supply Marketing:

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

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Chemical Property of 2-[(4-Nitrophenyl)thio]cyclohexanone

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:251.06161445
Heavy Atom Count:17
Complexity:295

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCC(=O)C(C1)SC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 2-[(4-Nitrophenyl)thio]cyclohexanone

There total 6 articles about 2-[(4-Nitrophenyl)thio]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: 96.0%

: 6651-36-1
1-(Trimethylsilyloxy)cyclohexene

: 340169-23-5
2,3,5,6-tetramethyl-1-(4-methoxyphenylthio)-4-oxocyclohexa-2,5-dienyl 2-chloroacetate

: 14146-10-2
2-(4-nitrophenylsulfanyl)cyclohexanone

Guidance literature:: With trimethylsilyl trifluoromethanesulfonate; In acetonitrile; at -30 - 20 ℃; for 0.166667h;
DOI:10.1021/jo001710q

Reference yield: 73.0%

: 100-32-3
di(p-nitrophenyl) disulfide

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

: 14146-10-2
2-(4-nitrophenylsulfanyl)cyclohexanone

Guidance literature:: With iodine; dimethyl sulfoxide; at 80 ℃; for 12h; Sealed tube;
DOI:10.1002/adsc.201300493

Reference yield:

: 169216-71-1
4-(4-Methoxy-benzenesulfinyl)-2,3,5,6-tetramethyl-phenol

: 14146-10-2
2-(4-nitrophenylsulfanyl)cyclohexanone

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / p-TsOH / toluene / 1 h / 60 °C

2: 96 percent / TMSOTf / acetonitrile / 0.17 h / -30 - 20 °C

With trimethylsilyl trifluoromethanesulfonate; toluene-4-sulfonic acid; In toluene; acetonitrile;
DOI:10.1021/jo001710q