23417-29-0

Basic information

• Product Name: 6-METHYL-1,3-BENZOXAZOLE-2-THIOL
• Synonyms: 6-METHYL-1,3-BENZOXAZOLE-2-THIOL;6-METHYLBENZO[D]OXAZOLE-2-THIOL;6-Methyl-3H-benzooxazole-2-thione;6-Methyl-1,3-benzoxazole-2(3H)-thione
• CAS NO: 23417-29-0
• Molecular Formula: C₈H₇NOS
• Molecular Weight: 165.21
• Mol File: 23417-29-0.mol
• Article Data: 24

Chemical Properties

• Melting Point: 209.0 to 213.0 °C
• Boiling Point: 270.5°Cat760mmHg
• Flash Point: 117.4°C
• Appearance: /
• Density: 1.34g/cm³
• Vapor Pressure: 0.00681mmHg at 25°C
• Refractive Index: 1.682
• Solubility: soluble in Dimethylformamide
• CAS DataBase Reference: 6-METHYL-1,3-BENZOXAZOLE-2-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 6-METHYL-1,3-BENZOXAZOLE-2-THIOL(23417-29-0)
• EPA Substance Registry System: 6-METHYL-1,3-BENZOXAZOLE-2-THIOL(23417-29-0)

Safety Data

• Hazardous Substances Data: 23417-29-0(Hazardous Substances Data)

Usage

General Description

6-METHYL-1,3-BENZOXAZOLE-2-THIOL is a chemical compound with the molecular formula C9H8NOS. It is structurally characterized by a benzoxazole ring, a type of aromatic organic compound, to which a methyl group and a sulfur-containing thiol group are attached. Being largely used in research and development settings, this chemical has specific properties such as a defined melting point, boiling point, and exact molecular weight. Its potential risks and safety measures are typically described in detailed Material Safety Data Sheets (MSDS). It is crucial to handle this chemical with proper care and precaution to prevent any harmful effects.

InChI:InChI=1/C8H7NOS/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H,9,11)

Upstream product

• 140-89-6 potassium ethyl xanthogenate 
• 2835-98-5 2-Hydroxy-4-methylanilin 
• 128-04-1 sodium dimethyldithiocarbamate 
• 137-26-8 Thiram 
• 75-15-0 carbon disulfide 

Downstream Products

• 1378110-48-5 N-(2-(1-(6-methylbenzo[d]oxazol-2-yl)piperidin-4-yloxy)phenyl)-pyridine-2-sulfonamide 
• 213685-01-9 N-(2,6-diisopropylphenyl)-6-((6-methylbenzo[d]oxazol-2-yl)thio)hexanamide 
• 3621-83-8 2-chloro-6-methylbenzo[d]oxazole 

Relevant articles and documents

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.

AlCl3-Promoted Synthesis of 2-Mercapto Benzoheterocycles by Using Sodium Dimethyldithiocarbamate as Thiocarbonyl Surrogate

A simple, expeditious and high-efficiency synthetic method for the AlCl3-mediated one-pot preparation of 2-mercapto benzoheterocycles (2-mercapto benzothiazoles, benzoxazoles and benzimidazoles) is described. By the treatment of a series of S, O and N heteroatoms containing bifunctional molecules with sodium dimethyldithiocarbamate in AlCl3, the desired benzoheterocycles are obtained smoothly. The protocol can also be applied on the synthesis of a series of thiazolidine-2-thiones, imidazolidine-2-thiones. This novel synthetic approach has advantages such as ligand-free, high efficiency, short reaction time, readily available starting materials and simple experimental procedures.

An environmentally benign and efficient synthesis of substituted benzothiazole-2-thiols, benzoxazole-2-thiols, and benzimidazoline-2-thiones in water

An efficient and practical method for the one-step synthesis of benzothiazole-2-thiols, benzoxazole-2-thiols and benzimidazoline-2-thiones by cyclization of 2-aminothiophenols, 2-aminophenols, and 1,2-phenylenediamines with tetramethylthiuram disulfide (TMTD) in water was described. The features of this method include metal/ligand-free, excellent yield, short reaction time and broad substrate scope. The method provides a facile and convenient preparation of some potentially biologically active compounds.