604795-48-4

Basic information

• Product Name: Benzoxazole, 2-[[(3-methoxyphenyl)methyl]thio]- (9CI)
• Synonyms: Benzoxazole, 2-[[(3-methoxyphenyl)methyl]thio]- (9CI)
• CAS NO: 604795-48-4
• Molecular Formula: C₁₅H₁₃NO₂S
• Molecular Weight: 271.33422
• Product Categories: BENZOXAZOLE
• Mol File: 604795-48-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 428.7±47.0 °C(Predicted)
• Appearance: /
• Density: 1.28±0.1 g/cm3(Predicted)
• PKA: 0.95±0.10(Predicted)
• CAS DataBase Reference: Benzoxazole, 2-[[(3-methoxyphenyl)methyl]thio]- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoxazole, 2-[[(3-methoxyphenyl)methyl]thio]- (9CI)(604795-48-4)
• EPA Substance Registry System: Benzoxazole, 2-[[(3-methoxyphenyl)methyl]thio]- (9CI)(604795-48-4)

Safety Data

• Hazardous Substances Data: 604795-48-4(Hazardous Substances Data)

Upstream product

• 2382-96-9 2-sulfanyl-1,3-benzoxazole 
• 95-55-6 2-amino-phenol 
• 874-98-6 1-bromomethyl-3-methoxybenzene 

Relevant articles and documents

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.