23997-94-6

Basic information

• Product Name: 5-BENZOXAZOLOL, 2-METHYL-
• Synonyms: 5-BENZOXAZOLOL, 2-METHYL-;2-methylbenzo[d]oxazol-5-ol;5-hydroxy-2-methylbenzo[d]oxazole;2-methyl-1,3-benzoxazol-5-ol
• CAS NO: 23997-94-6
• Molecular Formula: C₈H₇NO₂
• Molecular Weight: 149.15
• Mol File: 23997-94-6.mol
• Article Data: 7

Chemical Properties

• Melting Point: 164-165 °C
• Boiling Point: 278.7±13.0 °C(Predicted)
• Appearance: /
• Density: 1.305±0.06 g/cm3(Predicted)
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 8.70±0.10(Predicted)
• CAS DataBase Reference: 5-BENZOXAZOLOL, 2-METHYL-(CAS DataBase Reference)
• NIST Chemistry Reference: 5-BENZOXAZOLOL, 2-METHYL-(23997-94-6)
• EPA Substance Registry System: 5-BENZOXAZOLOL, 2-METHYL-(23997-94-6)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 23997-94-6(Hazardous Substances Data)

Usage

Application

2-Methylbenzo[d]oxazol-5-ol is a useful research chemical.

Upstream product

• 79-24-3 Nitroethane 
• 123-31-9 hydroquinone 
• 490-78-8 2,5-Dihydroxyacetophenone 
• 24558-42-7 1-(2,5-dihydroxyphenyl)ethan-1-one oxime 
• 24558-42-7 (E)-1-(2,5-dihydroxyphenyl)ethanone oxime 
• 23997-82-2 2,5-dimethoxyphenyl methyl ketone oxime 

Downstream Products

• 90418-93-2 2-methyl-1,3-benzothiazole-5-carbonitrile 
• 1222555-20-5 1-(diphenylmethyl)-3-hydroxy-3-(5-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-1,3-dihydro-2H-indol-2-one 
• 937263-24-6 2-methyl-5-(2-methyl-4-nitrophenoxy)benzo[d]oxazole 

Relevant articles and documents

Imaging Mutant Huntingtin Aggregates: Development of a Potential PET Ligand

Mutant huntingtin (mHTT) protein carrying the elongated N-Terminal polyglutamine (polyQ) tract misfolds and forms protein aggregates characteristic of Huntington's disease (HD) pathology. A high-Affinity ligand specific for mHTT aggregates could serve as a positron emission tomography (PET) imaging biomarker for HD therapeutic development and disease progression. To identify such compounds with binding affinity for polyQ aggregates, we embarked on systematic structural activity studies; lead optimization of aggregate-binding affinity, unbound fractions in brain, permeability, and low efflux culminated in the discovery of compound 1, which exhibited target engagement in autoradiography (ARG) studies in brain slices from HD mouse models and postmortem human HD samples. PET imaging studies with 11C-labeled 1 in both HD mice and WT nonhuman primates (NHPs) demonstrated that the right-hand-side labeled ligand [11C]-1R (CHDI-180R) is a suitable PET tracer for imaging of mHTT aggregates. [11C]-1R is now being advanced to human trials as a first-in-class HD PET radiotracer.

IRE-1α INHIBITORS

PROBLEM TO BE SOLVED: To provide compounds which directly inhibit inositol requiring enzyme 1 (IRE-1α activity) in vitro, prodrugs, and pharmaceutically acceptable salts thereof. SOLUTION: The present invention provides a compound represented by formula (A) [R3 and R4 are H or the like; Q5-Q8, together with the benzene ring to which they are attached, form a benzofused ring, where at least one of Q5-Q8 is a heteroatom selected from N, O, and S. COPYRIGHT: (C)2016,JPOandINPIT

One-pot synthesis of benzoxazoles via the metal-free ortho-C-H functionalization of phenols with nitroalkanes

PPA-activated nitroalkanes are employed in the design of a one-pot cascade transformation involving metal-free and oxidant-free direct ortho-C-H functionalization, followed by Beckman rearrangement and intramolecular cyclocondensation to produce benzoxazoles and benzobisoxazoles directly from easily available phenols.