3-(methylsulfanyl)cyclohexanone

Base Information

• Chemical Name: 3-(methylsulfanyl)cyclohexanone
• CAS No.: 22842-45-1
• Molecular Formula: C7H12 O S
• Molecular Weight: 144.238
• Mol file: 22842-45-1.mol

Synonyms:3-(Methylthio)cyclohexanone;NSC 147630

Chemical Property of 3-(methylsulfanyl)cyclohexanone

Chemical Property:

• Vapor Pressure: 0.036mmHg at 25°C
• Boiling Point: 241.4°C at 760 mmHg
• Flash Point: 111.7°C
• PSA: 42.37000
• Density: 1.04g/cm³
• LogP: 1.86110

Purity/Quality:

99% ^*data from raw suppliers

3-(Methylsulfanyl)cyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(methylsulfanyl)cyclohexanone

There total 9 articles about 3-(methylsulfanyl)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%

S-methylisothiourea hemisulphate (147895-43-0) + cyclohexenone (930-68-7) → 3-methylsulfanylcyclohexanone (22842-45-1)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 0.166667h;

DOI:10.1055/s-2007-982530

Reference yield: 81.0%

cyclohexenone (930-68-7) + methyl iodide (74-88-4) → 3-methylsulfanylcyclohexanone (22842-45-1)

Guidance literature:

With sodium dodecyl sulfate; sodium hydrogencarbonate; thiourea; In water; at 80 - 90 ℃; for 1h; Micellar solution; sealed tube;

DOI:10.1002/adsc.200800690

Reference yield: 73.0%

cyclohexenone (930-68-7) + S-Methylisothiourea sulfate (867-44-7,147895-43-0) + benzylamine (100-46-9) → 3-methylsulfanylcyclohexanone (22842-45-1) + 1-benzylguanidine hemisulfate

Guidance literature:

With triethylamine; In ethanol; water; at 30 ℃; for 6h; Green chemistry;

DOI:10.1039/c3ra42503g

upstream raw materials:

cyclohexenone

methylthiol

bis-methanethiolato-methyl-aluminium

dimethylaluminium methanethiolate

Downstream raw materials:

3-cyanocyclohexyl methyl sulfide

3-(aminomethyl)cyclohexyl methyl sulfone

3-cyanocyclohexyl methyl sulfone

Refernces

• 1、 Gao, Pengchao,Leng, Penglin,Sun, Qi,Wang, Xin,Ge, Zemei,Li, Runtao. "Novel atom-economic reaction: Comprehensive utilization of S-alkylisothiouronium salt in the synthesis of thioethers and guanidinium salts". . p. 17150 - 17155. Retrieved 2013/09/24.
• 2、 Firouzabadi, Habib,Iranpoor, Nasser,Abbasi, Mohammad. "Pronounced catalytic effect of a micellar solution of sodium dodecyl sulfate (SDS) on the efficient C-S bond formation via an odorless thia-michael addition reaction through the in situ generation of S-alkylisothiouronium salts". experimental part. p. 755 - 766. Retrieved 2009/11/30.