6-Chloro-2-methylbenzo[d]oxazole

Base Information

• Chemical Name: 6-Chloro-2-methylbenzo[d]oxazole
• CAS No.: 63816-18-2
• Molecular Formula: C₈H₆ClNO
• Molecular Weight: 167.595
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID7070008
• Nikkaji Number: J453.225B
• Wikidata: Q81997165

Synonyms:6-Chloro-2-methylbenzo[d]oxazole;63816-18-2;6-Chloro-2-methylbenzoxazole;6-chloro-2-methyl-1,3-benzoxazole;Benzoxazole, 6-chloro-2-methyl-;MFCD09027438;2-METHYL-6-CHLOROBENZOXAZOLE;6-chloro-2-methyl-benzoxazole;6-chloro-2-methylbenzoxazoline;SCHEMBL2056293;DTXSID7070008;AKOS004122391;6-chloranyl-2-methyl-1,3-benzoxazole;AB49156;DS-18111;SY018758;CS-0043808;FT-0657060;W17337;A834535

Chemical Property of 6-Chloro-2-methylbenzo[d]oxazole

Chemical Property:

• Vapor Pressure: 0.0552mmHg at 25°C
• Boiling Point: 241.6°C at 760 mmHg
• Flash Point: 99.9°C
• PSA: 26.03000
• Density: 1.311g/cm³
• LogP: 2.78960
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.0137915
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99%, ^*data from raw suppliers

6-Chloro-2-methylbenzo[d]oxazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(O1)C=C(C=C2)Cl

Technology Process of 6-Chloro-2-methylbenzo[d]oxazole

There total 3 articles about 6-Chloro-2-methylbenzo[d]oxazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

2-amino-5-chlorophenol (28443-50-7) + acetylacetone (123-54-6,81235-32-7) → 6-Chloro-2-methylbenzoxazole (63816-18-2)

Guidance literature:

With copper(l) iodide; toluene-4-sulfonic acid; In acetonitrile; at 80 ℃; for 16h;

DOI:10.1021/jo500604x

Reference yield: 84.0%

N-(4-chloro-2-hydroxyphenyl)acetamide (16323-09-4) → 6-Chloro-2-methylbenzoxazole (63816-18-2)

Guidance literature:

at 230 ℃; sublimation;

DOI:10.1007/BF00814133

Reference yield:

1-azido-4-chlorobenzene (3296-05-7) + acetic acid (64-19-7,77671-22-8) → 6-Chloro-2-methylbenzoxazole (63816-18-2)

Guidance literature:

at 140 ℃; Product distribution; in (or without) a pressure vessel, or with Ac₂O, or Ac₂O/HAc, other times, other temperature, or with 4-Bromophenyl azide; thermolytic rearrangement of 4-halophenyl azides to 2-aminophenols and other products;

DOI:10.1007/BF00814133

upstream raw materials:

N-(4-chloro-2-hydroxyphenyl)acetamide

1-azido-4-chlorobenzene

acetic acid

2-amino-5-chlorophenol

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