S-tert-Butyl chlorothioformate

Base Information

• Chemical Name: S-tert-Butyl chlorothioformate
• CAS No.: 13889-95-7
• Molecular Formula: C5H9 Cl O S
• Molecular Weight: 152.645
• Hs Code.: 2930909090
• European Community (EC) Number: 625-456-3
• DSSTox Substance ID: DTXSID40499494
• Nikkaji Number: J2.493.449G
• Wikidata: Q82350311
• Mol file: 13889-95-7.mol

Synonyms:S-tert-Butyl chlorothioformate;13889-95-7;tert-Butyl chlorothioformate;S-tert-butyl chloromethanethioate;(TERT-BUTYLSULFANYL)(CHLORO)METHANONE;Carbonochloridothioic acid, S-(1,1-dimethylethyl) ester;SCHEMBL515258;DTXSID40499494;S-tert-butyl carbonochloridothioate;S-tert-Butyl chlorothioformate, 96%;AKOS015908970;S-TERT-BUTYL CHLOROTHIOFORMATE, 96per cent;Carbonochloridothioicacid,s-(1,1-dimethylethyl)ester;J-007195

Chemical Property of S-tert-Butyl chlorothioformate

Chemical Property:

• Vapor Pressure: 2.07mmHg at 25°C
• Refractive Index: n20/D 1.4727
• Boiling Point: 32 °C/5 mmHg
• Flash Point: 34 °C
• PSA: 42.37000
• Density: 0.967 g/mL at 25 °C
• LogP: 2.87690
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.0062638
• Heavy Atom Count: 8
• Complexity: 95.1

Purity/Quality:

98%Min ^*data from raw suppliers

S-tert-Butyl chlorothioformate 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 10-35
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)SC(=O)Cl

Technology Process of S-tert-Butyl chlorothioformate

There total 5 articles about S-tert-Butyl chlorothioformate 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: 55.0%

S-tert-butyl O-ethyl carbonodithioate (84380-38-1) → t-butyl chlorothioformate (13889-95-7)

Guidance literature:

With oxalyl dichloride; In acetonitrile; for 3h;

DOI:10.1055/s-2007-983756

Reference yield: 54.0%

phosgene (75-44-5) + 2-methylpropan-2-thiol (75-66-1) → t-butyl chlorothioformate (13889-95-7)

Guidance literature:

With triethylamine; In 1,2-dichloro-ethane; toluene; at -5 - 20 ℃;

DOI:10.1021/ol0165645

Reference yield:

phosgene (75-44-5) + tert-butyl alcohol (75-65-0) → t-butyl chlorothioformate (13889-95-7)

Guidance literature:

With pyridine; thionyl chloride; In dichloromethane; at 0 ℃;

DOI:10.1021/ja00814a036

upstream raw materials:

phosgene

2-methylpropan-2-thiol

tert-butyl alcohol

bis(trichloromethyl) carbonate

Downstream raw materials:

(E)-2-Methyl-3-(4-nitro-phenyl)-thioacrylic acid S-tert-butyl ester

3'-propionamidophenyl-S-t-butylthiolcarbamate

4-Nitro-thiobenzoesaeure-S-

phenyl-thiocarbamic acid S-tert-butyl ester

Refernces

• 1、 Gade, Alexandra M.,Abelt, Christopher J.. "S-alkyl chlorothioformates from xanthates". . p. 2097 - 2099. Retrieved 2008/02/12.
• 2、 Boeckman Jr., Robert K.,Ge, Ping,Reed, Jessica E.. "New heterocyclic precursors for thermal generation of reactive, electron-rich 1,2-diaza-1,3-butadienes". . p. 3647 - 3650. Retrieved 2007/10/03.