86971-24-6

Basic information

• Product Name: Benzoxazole, 2-[(phenylmethyl)thio]-
• Synonyms: 2-benzylmercapto-benzoxazole;(benzylthio)benzoxazole;2-Benzylsulfanylbenzoxazole;2-Benzylmercapto-benzoxazol;2-Benzylsulfanyl-benzooxazole;2-benzylthio-1,3-benzoxazole;Benzoxazole,2-[(phenylmethyl)thio];2-(phenylmethylthio)benzoxazole
• CAS NO: 86971-24-6
• Molecular Formula: C14H11NOS
• Molecular Weight: 241.313
• Mol File: 86971-24-6.mol
• Article Data: 15

Chemical Properties

• Melting Point: 51-52.5 °C
• Boiling Point: 391.6±35.0 °C(Predicted)
• Density: 1.27±0.1 g/cm3(Predicted)
• CAS DataBase Reference: Benzoxazole, 2-[(phenylmethyl)thio]-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoxazole, 2-[(phenylmethyl)thio]-(86971-24-6)
• EPA Substance Registry System: Benzoxazole, 2-[(phenylmethyl)thio]-(86971-24-6)

Safety Data

• Hazardous Substances Data: 86971-24-6(Hazardous Substances Data)

Upstream product

• 615-18-9 2-chloro-1,3-benzoxazole 
• 3492-64-6 sodium benzylmercaptide 
• 100-44-7 benzyl chloride 
• 2382-96-9 2-sulfanyl-1,3-benzoxazole 
• 100-39-0 benzyl bromide 
• 273-53-0 benzoxazole 
• 6313-36-6 benzyl thiosulphate 
• 260783-80-0 N,N,N--trimethyl--1--phenylmethanaminium trifluoromethanesulfonate 
• 97-74-5 bis(dimethylthiocarbamoyl)sulfide 
• 95-55-6 2-amino-phenol 
• 100-51-6 benzyl alcohol 
• 2382-96-9 benzo[d]oxazole-2-(3H)-thione 
• 2978-10-1 O-benzyl-N,N'-diisopropylisourea 
• 53008-65-4 methyl 2,3,4-tri-O-benzyl-D-glucopyranoside 

Downstream Products

• 2382-96-9 benzo[d]oxazole-2-(3H)-thione 
• 91749-28-9 C₁₄H₁₁NO₃S 
• 87707-51-5 3-benzylbenzoxazoline-2-thione 
• 14869-05-7 1-benzyilsulfanyl-butan-2-ol 
• 59-49-4 2-hydroxybenzoxazole 
• 59-49-4 2-Benzoxazolinone 
• 538-74-9 dibenzyl sulfide 
• 74252-96-3 4-(benzylthio)-2-butanol 
• 5184-47-4 benzyl butyl sulfide 
• 75238-62-9 benzyl but-3-en-2-yl sulfide 
• 71638-76-1 benzyl (E)-2-butenyl sulfide 
• 106018-81-9 5-[(phenylmethyl)thio]pentan-2-ol 

Relevant articles and documents

Ag-Cu copromoted direct C2-H bond thiolation of azoles with Bunte salts as sulfur sources

A direct C2-H thiolation of azoles with Bunte salts was achieved under the combined action of copper and silver salts. This protocol could furnish various substituted 2-thioazoles in moderate to good yields. This method has a broad substrate scope and shows good functional group tolerance.

Three-Component Synthesis of 2-Substituted Thiobenzoazoles Using Tetramethyl Thiuram Monosulfide (TMTM) as Thiocarbonyl Surrogate

A metal-free synthesis of 2-benzyl/allyl-substituted thiobenzoazoles was developed starting from tetramethyl thiuram monosulfide (TMTM) which served as thiocarbonyl surrogate. By using 2-aminophenols (or 2-aminothiophenols, or 1,2-phenylenediamines) and TMTM as starting materials, 2-mercaptobenzoazoles could be synthesized efficiently. The subsequent C–S bond formation with benzyl/allyl halides gave the final products (2-benzyl/allyl-substituted thiobenzoazoles) with good to excellent yields. The metal-free conditions, inexpensive and easily available starting materials, and broad substrate scope are the advantageous features of this protocol.

Zinc oxide catalyzed solvent-free mechanochemical route for C-S bond construction: A sustainable process

A zinc oxide catalyzed solvent-free mechanochemical process has been developed for the rapid construction of C-S bonds by using a nucleophilic substitution reaction (SN2 mechanism) that involves a variety of thiols and phenacyl/ benzyl/alkyl bromides. Notable advantages of this method in-clude its broad substrate scope, clean reaction profile, safety, scalability, high product yields at ambient conditions, and the recyclability of the catalyst. Furthermore, the prepared compounds are valuable building blocks for the synthesis of various biologically active molecules.