5-Chloro-2-(trifluoromethyl)benzo[d]oxazole

Base Information

• Chemical Name: 5-Chloro-2-(trifluoromethyl)benzo[d]oxazole
• CAS No.: 93416-20-7
• Molecular Formula: C₈H₃ClF₃NO
• Molecular Weight: 221.566
• DSSTox Substance ID: DTXSID90534167
• Nikkaji Number: J2.450.586C
• Wikidata: Q82407841
• Mol file: 93416-20-7.mol

Synonyms:5-Chloro-2-(trifluoromethyl)benzo[d]oxazole;93416-20-7;5-CHLORO-2-(TRIFLUOROMETHYL)-1,3-BENZOXAZOLE;DTXSID90534167

Chemical Property of 5-Chloro-2-(trifluoromethyl)benzo[d]oxazole

Chemical Property:

• PSA: 26.03000
• LogP: 3.50000
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 220.9855259
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2-(trifluoromethyl)benzo[d]oxazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)N=C(O2)C(F)(F)F

Technology Process of 5-Chloro-2-(trifluoromethyl)benzo[d]oxazole

There total 4 articles about 5-Chloro-2-(trifluoromethyl)benzo[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%

trifluoroacetic acid (76-05-1) + 2-hydroxy-5-chloro-aniline (95-85-2) → 5-chloro-2-(trifluoromethyl)benzo[d]oxazole (93416-20-7)

Guidance literature:

With triethylamine; triphenylphosphine; In tetrachloromethane; Heating;

DOI:10.1016/j.tetlet.2007.03.015

Reference yield: 75.0%

(trifluoromethyl)trimethylsilane (81290-20-2) + 5-chloro-benzoxazole (17200-29-2) → 5-chloro-2-(trifluoromethyl)benzo[d]oxazole (93416-20-7)

Guidance literature:

With 1,10-Phenanthroline; di-tert-butyl peroxide; copper diacetate; sodium acetate; sodium t-butanolate; In 1,2-dichloro-ethane; at 80 ℃; for 6.03333h; Inert atmosphere; Molecular sieve;

DOI:10.1021/ja209992w

Reference yield: 72.0%

N-(5-chloro-2-hydroxyphenyl)trifluoroacetamide (93416-35-4) → 5-chloro-2-(trifluoromethyl)benzo[d]oxazole (93416-20-7)

Guidance literature:

With phosphorus pentoxide; at 80 - 300 ℃; under 500 Torr;

DOI:10.1016/S0022-1139(00)81483-9

upstream raw materials:

N-(5-chloro-2-hydroxyphenyl)trifluoroacetamide

trifluoroacetic acid

2-hydroxy-5-chloro-aniline

(trifluoromethyl)trimethylsilane