Carbonochloridothioic acid, S-phenyl ester

Base Information

• Chemical Name: Carbonochloridothioic acid, S-phenyl ester
• CAS No.: 13464-19-2
• Molecular Formula: C7H5 Cl O S
• Molecular Weight: 172.635
• European Community (EC) Number: 236-679-7
• DSSTox Substance ID: DTXSID5065481
• Nikkaji Number: J113.568F
• Wikidata: Q81992237
• Mol file: 13464-19-2.mol

Synonyms:13464-19-2;Carbonochloridothioic acid, S-phenyl ester;S-phenyl chloromethanethioate;s-phenyl carbonochloridothioate;S-Phenyl chlorothioformate;Phenyl chlorothiolformate;(Phenylthio)carbonyl chloride;Carbonochloridothioicacid, S-phenyl ester;EINECS 236-679-7;Formic acid, chlorothio-, S-phenyl ester;(phenylsulfanyl)carbonyl chloride;Phenyl thiochloroformate;S-Phenyl chlorothiolformate;(Phenylthio)formyl chloride;S-Phenyl chloridothiocarbonate;SCHEMBL979444;S-Phenyl carbonylchloridothioate;DTXSID5065481;AKOS006228279;FT-0636896;EN300-379859

Chemical Property of Carbonochloridothioic acid, S-phenyl ester

Chemical Property:

• Vapor Pressure: 0.00943mmHg at 25°C
• Boiling Point: 264.9°Cat760mmHg
• Flash Point: 114°C
• PSA: 42.37000
• Density: 1.33g/cm³
• LogP: 3.13750
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 171.9749636
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

98%,99%, ^*data from raw suppliers

PHENYL CHLOROTHIOLFORMATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC(=O)Cl

Technology Process of Carbonochloridothioic acid, S-phenyl ester

There total 8 articles about Carbonochloridothioic acid, S-phenyl ester 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: 83.0%

bis(trichloromethyl) carbonate (32315-10-9) + thiophenol (108-98-5) → phenyl chlorothioformate (13464-19-2)

Guidance literature:

With pyridine; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1055/s-2006-926291

Reference yield:

phosgene (75-44-5) + thiophenol (108-98-5) → phenyl chlorothioformate (13464-19-2)

Guidance literature:

With pyridine; In dichloromethane; at 0 ℃;

DOI:10.1021/ja00814a036

Reference yield:

Diethyl difluoromethylphosphonate (1478-53-1) + 2,3-isopropylidene-glyceraldehyde (15186-48-8) → phenyl chlorothioformate (13464-19-2)

Guidance literature:

With lithium diisopropyl amide; Yield given. Multistep reaction; 1.) THF, hexane, -78 deg C, 45 min, 2.) -78 deg C, 6 h;

DOI:10.1021/jo00096a024

upstream raw materials:

phosgene

thiophenol

Diethyl difluoromethylphosphonate

2,3-isopropylidene-glyceraldehyde

Downstream raw materials:

[2]pyridyl-thiocarbamic acid S-phenyl ester

N-phenylsulfanylcarbonyl-L-leucine

N-phenylsulfanylcarbonyl-L-methionine ethyl ester

N-phenylsulfanylcarbonyl-L-glutamic acid

Refernces

• 1、 Venkatesh, Yarra,Nandi, Surajit,Shee, Maniklal,Saha, Biswajit,Anoop, Anakuthil,Pradeep Singh. "Bis-Acetyl Carbazole: A Photoremovable Protecting Group for Sequential Release of Two Different Functional Groups and Its Application in Therapeutic Release". . p. 6121 - 6130. Retrieved 2017.
• 2、 Luo, Shi-Peng,Guo, Lian-Dong,Gao, Long-Hui,Li, Shuang,Huang, Pei-Qiang. "Toward the total synthesis of haliclonin a: Construction of a tricyclic substructure". supporting information. p. 87 - 91. Retrieved 2013/02/25.
• 3、 Su,Zhang,Liang. "A convenient, one-pot synthesis of thiocarbamates using bis(trichloromethyl) carbonate". . p. 404 - 410. Retrieved 2007/10/03.