36635-63-9

Basic information

• Product Name: PHENYLSULFONYLMETHYL ISOCYANIDE
• Synonyms: PHENYLSULFONYLMETHYL ISOCYANIDE;(isocyanoMethylsulfonyl)benzene
• CAS NO: 36635-63-9
• Molecular Formula: C₈H₇NO₂S
• Molecular Weight: 181.21
• Mol File: 36635-63-9.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: PHENYLSULFONYLMETHYL ISOCYANIDE(CAS DataBase Reference)
• NIST Chemistry Reference: PHENYLSULFONYLMETHYL ISOCYANIDE(36635-63-9)
• EPA Substance Registry System: PHENYLSULFONYLMETHYL ISOCYANIDE(36635-63-9)

Safety Data

• Hazardous Substances Data: 36635-63-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H7NO2S/c1-9-7-12(10,11)8-5-3-2-4-6-8/h2-6H,7H2

Upstream product

• 593-75-9 methyl isocyanate 
• 368-43-4 phenylsulfonyl fluoride 
• 670-98-4 methyl benzenesulfinate 
• 28918-58-3 N-(phenylsulfonylmethyl)formamide 
• 108-98-5 thiophenol 

Downstream Products

• 1006-68-4 5-phenyloxazole 
• 1008-94-2 5-(4-chloro-phenyl)-oxazole 
• 40167-37-1 4-phenyl-1H-pyrrole-3-carbonitrile 
• 38926-90-8 1-Formylamino-1-benzolsulfonyl-2-phenyl-aethen 

Relevant articles and documents

Alkyl sulfinates: Formal nucleophiles for synthesizing TosMIC analogs

Alkyl sulfinates function as formal nucleophiles in Mannich-type reactions to give sulfonyl formamides, which are readily dehydrated to the corresponding sulfonylmethyl isonitriles. The efficient, two-step synthesis provides a general route to sulfonylmethyl isonitriles from readily available methyl sulfinates or thiols. Mechanistic analysis reveals that the unusual nucleophlicity of the alkyl sulfinates arises from the in situ release of sulfinic acids.

COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES

This invention relates to novel isonitriles, including arylsulfonyl isonitriles, and methods for their synthesis. The isonitriles include a conjugated ring system. The structure is designed with the flexibility to have multiple substitution patterns. The isonitriles may be used in applications including, but not limited to, pharmaceutical compositions.