cyclohexyl-tert-butylsulfanyl-methanone

Base Information

• Chemical Name: cyclohexyl-tert-butylsulfanyl-methanone
• CAS No.: 54829-37-7
• Molecular Formula: C11H20 O S
• Molecular Weight: 200.345
• Hs Code.: 2930909090
• Mol file: 54829-37-7.mol

Synonyms:NSC304957; S-tert-Butyl cyclohexanecarbothioate; S-tert-Butylthiocyclohexanecarboxylate

Chemical Property of cyclohexyl-tert-butylsulfanyl-methanone

Chemical Property:

• Vapor Pressure: 0.00736mmHg at 25°C
• Boiling Point: 269.2°Cat760mmHg
• Flash Point: 103.6°C
• PSA: 42.37000
• Density: 0.995g/cm³
• LogP: 3.62500

Purity/Quality:

97% ^*data from raw suppliers

CYCLOHEXANECARBOTHIOIC ACID S-TERT-BUTYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of cyclohexyl-tert-butylsulfanyl-methanone

There total 5 articles about cyclohexyl-tert-butylsulfanyl-methanone 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: 90.0%

2-methylpropan-2-thiol (75-66-1) + 1-cyclohexanecarbonyl-1H-imidazole (60718-45-8) → S-tert-butyl cyclohexanecarbothioate (54829-37-7)

Guidance literature:

With magnesium ethylate; In N,N-dimethyl-formamide; Ambient temperature;

DOI:10.1016/S0040-4039(01)81874-8

Reference yield:

2-methylpropan-2-thiol (75-66-1) + cyclohexanylcarbonyl chloride (2719-27-9) → S-tert-butyl cyclohexanecarbothioate (54829-37-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/jo000961w

Reference yield:

Cyclohexanecarboxylic acid (98-89-5) → S-tert-butyl cyclohexanecarbothioate (54829-37-7)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 50 °C

2: Et₃N / CH₂Cl₂ / 20 °C

With thionyl chloride; triethylamine; In dichloromethane;

DOI:10.1021/jo000961w

upstream raw materials:

C₁₉H₂₁O₃P

potassium 2-methyl-2-propanethiolate

methyl cyclohexylcarboxylate

2-methylpropan-2-thiol

Downstream raw materials:

tert-butyl cyclohexanecarboxylate

(1-tert-butylsulfanylcyclohexylidenemethoxy)trimethylsilane

2-methylpropane-2-sulfinic acid

t-butylsulfonic acid