N-tert-Butylbenzenesulfinimidoyl Chloride

Base Information

• Chemical Name: N-tert-Butylbenzenesulfinimidoyl Chloride
• CAS No.: 49591-20-0
• Molecular Formula: C10H14ClNS
• Molecular Weight: 215.747
• European Community (EC) Number: 663-407-8
• UNII: JZE5325ZY8
• DSSTox Substance ID: DTXSID00463732
• Nikkaji Number: J1.390.834F
• Wikidata: Q15425804
• Wikipedia: N-tert-Butylbenzenesulfinimidoyl chloride,N-tert-Butylbenzenesulfinimidoyl_chloride
• Mol file: 49591-20-0.mol

Synonyms:49591-20-0;N-tert-Butylbenzenesulfinimidoyl Chloride;N-(1,1-Dimethylethyl)benzenesulfinimidoyl chloride;Mukaiyama's oxidant;Benzenesulfinimidoyl chloride, N-(1,1-dimethylethyl)-;tert-butylimino-chloro-phenyl-lambda4-sulfane;N-tert-Butylphenylsulfinimidoyl Chloride;JZE5325ZY8;N-(tert-Butyl)phenylsulfinimidoyl chloride;UNII-JZE5325ZY8;N-(1,1-Dimethylethyl)benzenesulfinimidoylchloride;SCHEMBL2124829;DTXSID00463732;RZJYQVFWNHEPTH-UHFFFAOYSA-N;N-t-butylphenylsulfinimidoylchloride;AKOS016008919;AKOS028109909;3,5-Difluoro-4-formylphenylboronicacid;B2188;D88907;Q15425804

Chemical Property of N-tert-Butylbenzenesulfinimidoyl Chloride

Chemical Property:

• Vapor Pressure: 0.000865mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 314.4 °C at 760 mmHg
• Flash Point: 143.9 °C
• PSA: 31.57000
• Density: 1.11 g/cm³
• LogP: 4.45030
• Storage Temp.: Freezer
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.0535483
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

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

N-(1,1-Dimethylethyl)benzenesulfinimidoylchloride ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N=S(C1=CC=CC=C1)Cl

Technology Process of N-tert-Butylbenzenesulfinimidoyl Chloride

There total 2 articles about N-tert-Butylbenzenesulfinimidoyl Chloride 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:

N,N-dichloro-t-butylamine (2156-72-1) + S-phenyl thioacetate (934-87-2) → N-(tert-butyl)benzenesulfinimidoyl chloride (49591-20-0)

Guidance literature:

In benzene; for 1h; Heating;

DOI:10.1246/bcsj.75.223

Reference yield:

→ N-(tert-butyl)benzenesulfinimidoyl chloride (49591-20-0)

Guidance literature:

Meth.A: Trimethylphenylthiosilan, N,N-Dichlor-tert-butylamin;

Reference yield: 63.0%

N-(tert-butyl)benzenesulfinimidoyl chloride (49591-20-0) + 7-benzyloxepan-2-one (112329-34-7) → 7-benzyl-6,7-dihydrooxepin-2(5H)-one

Guidance literature:

7-benzyloxepan-2-one; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.5h;

N-(tert-butyl)benzenesulfinimidoyl chloride; In tetrahydrofuran; for 1h;

DOI:10.1055/s-0033-1340195

upstream raw materials:

N,N-dichloro-t-butylamine

S-phenyl thioacetate

Downstream raw materials:

N-(Phenylthio)-tert-butylaminyl

dichlorotriphenylphosphorane

N-(phenylthio)-N-(tert-butyl)amine

N-(phenylsulfinyl)-N-(tert-butyl)amine

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