beta-Phenylthiocyclohexanone

Base Information

• Chemical Name: beta-Phenylthiocyclohexanone
• CAS No.: 35155-84-1
• Molecular Formula: C12H14OS
• Molecular Weight: 206.309
• DSSTox Substance ID: DTXSID301346129
• Nikkaji Number: J183.669B
• Mol file: 35155-84-1.mol

Synonyms:3-(phenylsulfanyl)cyclohexan-1-one;35155-84-1;beta-phenylthiocyclohexanone;3-(Phenylthio)cyclohexanone;3-PHENYLTHIOCYCLOHEXANONE;DTXSID301346129;AKOS014043266;EN300-394906

Chemical Property of beta-Phenylthiocyclohexanone

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 206.07653624
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(CC(=O)C1)SC2=CC=CC=C2

Technology Process of beta-Phenylthiocyclohexanone

There total 13 articles about beta-Phenylthiocyclohexanone 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%

cyclohexenone (930-68-7) + thiophenol (108-98-5) → 3-phenylthiocyclohexanone (35155-84-1)

Guidance literature:

triethylamine; Ambient temperature;

DOI:10.1021/jo00315a002

Reference yield: 100.0%

cyclohexenone (930-68-7) + sodium thiophenolate (930-69-8) → 3-phenylthiocyclohexanone (35155-84-1)

Guidance literature:

In tetrahydrofuran; Ambient temperature;

Reference yield: 99.0%

cyclohexenone (930-68-7) + thiophenol (108-98-5) → (S)-3-(phenylthio)-cyclohexanone (35155-84-1,64888-88-6,83149-56-8,113085-39-5)

Guidance literature:

With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methyl)urea; In toluene; at 20 ℃; for 5h; optical yield given as %ee; enantioselective reaction;

DOI:10.1021/jo902634a

upstream raw materials:

cyclohexenone

sodium thiophenolate

thiophenol

diphenyldisulfane

Downstream raw materials:

3-(phenylsulfanyl)cyclohex-2-en-1-one

7-(phenylthio)-1,4-dioxaspiro<4.5>decane

8-Phenylsulfanyl-1,5-dithia-spiro[5.5]undecane

3-(phenylthio)cyclohexanol

Refernces

• 1、 Banfi,Cinquini,Colonna. "SYNTHESIS OF NEW CHIRAL PHASE-TRANSFER CATALYSTS AND THEIR APPLICATION TO MICHAEL ADDITIONS.". . p. 1841 - 1843. Retrieved 1981.
• 2、 Chen, Ze-Wen,He, Piao,Liu, Chao,Mo, Xiu-Fang,Tong, Hai-Xia,Xiong, Chang-Feng,Yi, Xiao-Yi. "Zinc complexes supported by pyridine-: N -oxide ligands: Synthesis, structures and catalytic Michael addition reactions". . p. 12365 - 12371. Retrieved 2020/10/02.
• 3、 Bukhryakov, Konstantin V.,Desyatkin, Victor G.,O'Shea, John-Paul,Almahdali, Sarah R.,Solovyeva, Vera,Rodionov, Valentin O.. "Cooperative catalysis with block copolymer micelles: A combinatorial approach". supporting information. p. 76 - 80. Retrieved 2015/03/05.