4127-53-1

Basic information

• Product Name: 3-methyl-2,1-benzoxazole
• CAS NO: 4127-53-1
• Molecular Formula: C₈H₇NO
• Molecular Weight: 133.1473
• Mol File: 4127-53-1.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 235.6°C at 760 mmHg
• Flash Point: 97.8°C
• Density: 1.149g/cm³
• Vapor Pressure: 0.0759mmHg at 25°C
• Refractive Index: 1.594
• CAS DataBase Reference: 3-methyl-2,1-benzoxazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methyl-2,1-benzoxazole(4127-53-1)
• EPA Substance Registry System: 3-methyl-2,1-benzoxazole(4127-53-1)

Safety Data

• Hazardous Substances Data: 4127-53-1(Hazardous Substances Data)

Usage

General Description

3-Methyl-2,1-benzoxazole is a chemical compound with the molecular formula C9H7NO. It is a heterocyclic aromatic compound, which means it contains a ring structure with atoms of at least two different elements. 3-methyl-2,1-benzoxazole is commonly used in the synthesis of pharmaceuticals, dyes, and other organic compounds. It is a pale yellow to beige colored solid that is soluble in organic solvents. 3-Methyl-2,1-benzoxazole is also known for its fluorescent properties, making it useful in the production of fluorescent dyes and materials. It is important to handle this chemical with care and follow safety procedures as it can be harmful if ingested or inhaled.

Upstream product

• 551-93-9 2-aminoacetophenone 
• 16714-26-4 1-(2-azido-phenyl)-ethanone 
• 998-39-0 tributylgermanium hydride 
• 577-59-3 2-acetylnitrobenzene 
• 64-19-7 acetic acid 
• 41608-06-4 4-methyl-1,2,3-benzotriazine 3-oxide 
• 10026-13-8 phosphorus pentachloride 
• 7719-12-2 phosphorus trichloride 
• 67-66-3 chloroform 
• 67-56-1 methanol 

Downstream Products

• 31125-05-0 1-(4-nitrosophenyl)ethan-1-one 
• 56969-73-4 (4-methylquinolin-3-yl)(phenyl)methanone 
• 599173-74-7 1-(benzo[c]isoxazol-3-yl)butan-1-one 

Relevant articles and documents

Metal-Free Synthesis of Anthranils by PhIO Mediated Heterocyclization of ortho-Carbonyl Anilines

Here, we report a metal-free synthesis of anthranils from ortho-carbonyl anilines using PhIO as a sole additive under ambient conditions. This methodology did not require any external additives and delivered anthranils in excellent yields with broad substrate scope. The mechanistic studies suggest that the reaction proceeds via in-situ generation of iminoiodane leading to nitrene and a subsequent nucleophilic attack from oxygen of ortho-carbonyl aniline on nitrene results in heterocyclization.

Methylene meldrums acid derivatives of indoxyl and their cyclization reactions under flash vacuum pyrolysis conditions

Pure indoxyl can be obtained in 75% yield by flash vacuum pyrolysis (FVP) of 2′-azidoacetophenone at 650 °C. Reaction of indoxyl with methoxymethylene Meldrums acid takes place at the 1-position, and FVP of the resulting derivative provides 1-hydroxy-9H-pyrrolo[1,2-a]indol-9-one (54%). FVP of the isomeric 2-methylene compound gives pyrano[3,2-b]indol-2(5H)-one (42%). Georg Thieme Verlag Stuttgart · New York.

Radical reduction of aromatic azides to amines with tributylgermanium hydride

Aromatic azides are inert toward tributylgermanium hydride under thermal conditions in the absence and in the presence of a radical initiator but in the presence of catalytic amounts of benzenethiol undergo fast reaction, yielding reduced anilines and 2-germylated derivatives in high overall yields.