2314-17-2

Basic information

• Product Name: Benzothiazole, 2-(butylthio)- (7CI,8CI,9CI)
• Synonyms: Benzothiazole, 2-(butylthio)- (7CI,8CI,9CI);butylcaptax;2-(BUTYLTHIO)BENZOTHIAZOLE;2-Buthylthio Benzothiazol;2-(butylthio)-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole
• CAS NO: 2314-17-2
• Molecular Formula: C₁₁H₁₃NS₂
• Molecular Weight: 223.35762
• Product Categories: BENZOTHIAZOLE
• Mol File: 2314-17-2.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 340.4°Cat760mmHg
• Flash Point: 159.6°C
• Appearance: /
• Density: 1.1894 (rough estimate)
• Vapor Pressure: 0.00017mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• PKA: 0.62±0.10(Predicted)
• CAS DataBase Reference: Benzothiazole, 2-(butylthio)- (7CI,8CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole, 2-(butylthio)- (7CI,8CI,9CI)(2314-17-2)
• EPA Substance Registry System: Benzothiazole, 2-(butylthio)- (7CI,8CI,9CI)(2314-17-2)

Safety Data

• Hazardous Substances Data: 2314-17-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H13NS2/c1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11/h4-7H,2-3,8H2,1H3

Upstream product

• 109-65-9 1-bromo-butane 
• 149-30-4 2-Mercaptobenzothiazole 
• 1123-99-5 2-iodobenzothiazole 
• 109-69-3 n-Butyl chloride 
• 137-07-5 2-amino-benzenethiol 
• 95-16-9 1,3-Benzothiazole 
• 26726-20-5 sodium n-butylsulfanesulfonate 
• 109-79-5 n-butanethiol 
• 542-69-8 1-iodo-butane 
• 615-20-3 2-chlorobenzo[d][1,3]thiazole 
• 102-85-2 tri-n-butyl phosphite 
• 102-77-2 4-(benzothiazole-2-sulfenyl)-morpholine 
• 149-30-4 2-thioxo-3H-1,3-benzothiazole 
• 20637-27-8 2-deuteriobenzothiazole 

Downstream Products

• 21261-91-6 3-Butyl-benzothiazolin-2-thion 
• 40115-03-5 2-cyclohexyl-benzothiazole 

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-Alkylthiobenzoazoles in Aqueous Media

A highly efficient three-component protocol for the synthesis of the 2-alkylthiobenzoazoles is described. Tetramethylthiuram disulfide (TMTD) cyclized with o -aminothiophenols, generating the intermediate 2-mercaptobenzothiazoles, and the successive C-S coupling with halogenated alkanes afforded a series of 2-alkyl-substituted thiobenzothiazoles smoothly in a one-pot process. This procedure could also be utilized for the preparation of 2-alkyl-substituted thiobenzoxazoles and 2-alkyl-substituted thiobenzimidazoles. Inexpensive and easily available starting materials, metal catalyst-free, broad substrate scope, and water as solvent are the features of this protocol.

One-Pot Synthesis of 2-Benzyl/2-Allyl-Substituted Thiobenzoazoles Using Transition-Metal-Free Conditions in Water

A transition-metal-free protocol for the one-pot synthesis of 2-benzyl/2-allyl-substituted thiobenzoazoles in water was developed. The cyclization of 2-aminothiophenols, 2-aminophenols, and 1,2-phenylenediamines with tetramethylthiuram disulfide (TMTD) gave mercapto benzoheterocycles, and the subsequent C-S coupling with benzyl or allyl halides furnished the desired products in good to excellent yields. This method features transition-metal-free conditions with water as a solvent, an easy performance, mild reaction conditions, a wide substrate scope, and good to excellent yields, thus paving an efficient and useful way to establish a library of potentially active drug molecules.