93794-44-6

Basic information

• Product Name: 4-Methyl-1,3-benzoxazole-2-thiol
• Synonyms: 4-Methyl-1,3-benzoxazole-2-thiol;4-methyl-3H-1,3-benzoxazole-2-thione
• CAS NO: 93794-44-6
• Molecular Formula: C8H7NOS
• Molecular Weight: 165.21228
• Mol File: 93794-44-6.mol
• Article Data: 9

Chemical Properties

• Melting Point: 92 °C
• Boiling Point: 255.3±33.0 °C(Predicted)
• Appearance: /
• Density: 1.34±0.1 g/cm3(Predicted)
• PKA: 11.32±0.20(Predicted)
• CAS DataBase Reference: 4-Methyl-1,3-benzoxazole-2-thiol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methyl-1,3-benzoxazole-2-thiol(93794-44-6)
• EPA Substance Registry System: 4-Methyl-1,3-benzoxazole-2-thiol(93794-44-6)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 93794-44-6(Hazardous Substances Data)

Upstream product

• 2835-97-4 2-amino-3-methylphenol 
• 128-04-1 sodium dimethyldithiocarbamate 
• 137-26-8 Thiram 
• 75-15-0 carbon disulfide 
• 140-89-6 potassium ethyl xanthogenate 

Relevant articles and documents

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.

Substituted diazepan orexin receptor antagonists

The present invention is directed to substituted diazepan compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which orexin receptors are involved.