3-(Benzo[d]oxazol-2-yl)phenol

Base Information

• Chemical Name: 3-(Benzo[d]oxazol-2-yl)phenol
• CAS No.: 3164-06-5
• Molecular Formula: C13H9NO2
• Molecular Weight: 211.22
• Hs Code.: 2934999090
• ChEMBL ID: CHEMBL252155
• DSSTox Substance ID: DTXSID00521386
• Nikkaji Number: J3.638.901J
• Wikidata: Q82385821
• Mol file: 3164-06-5.mol

Synonyms:3-(benzo[d]oxazol-2-yl)phenol;3164-06-5;3-(1,3-Benzoxazol-2-yl)phenol;2-(3-Hydroxyphenyl)-benzoxazol;3-benzooxazol-2-yl-phenol;CHEMBL252155;SCHEMBL3013427;DTXSID00521386;QHUYLIOMTFQOSN-UHFFFAOYSA-N;AKOS015899945

Chemical Property of 3-(Benzo[d]oxazol-2-yl)phenol

Chemical Property:

• PSA: 46.26000
• LogP: 3.20040
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 211.063328530
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

3-(Benzo[d]oxazol-2-yl)phenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)O

Technology Process of 3-(Benzo[d]oxazol-2-yl)phenol

There total 15 articles about 3-(Benzo[d]oxazol-2-yl)phenol 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: 96.0%

meta-hydroxybenzaldehyde (100-83-4) + 2-amino-phenol (95-55-6) → 2-(3-hydroxyphenyl)-1,3-benzoxazole (3164-06-5)

Guidance literature:

With potassium cyanide; In N,N-dimethyl-formamide; for 0.0266667h; Microwave irradiation;

DOI:10.1080/15533174.2014.988794

Reference yield: 90.0%

2-(3-methoxyphenyl)benzoxazole (32959-59-4) → 2-(3-hydroxyphenyl)-1,3-benzoxazole (3164-06-5)

Guidance literature:

With boron tribromide; In dichloromethane; at -10 - 20 ℃; for 8h;

DOI:10.1002/cjoc.202100641

Reference yield: 85.0%

3-Hydroxy-benzaldehyd-<2-hydroxy-phenylimin> (26213-36-5) → 2-(3-hydroxyphenyl)-1,3-benzoxazole (3164-06-5)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃;

DOI:10.1055/s-0029-1217136

upstream raw materials:

3-Carboxyphenol

2-amino-phenol

3-Hydroxy-benzaldehyd-<2-hydroxy-phenylimin>

3-Hydroxybenzyl alcohol

Downstream raw materials:

2-(3-methoxyphenyl)benzoxazole

3-(benzo[d]oxazol-2-yl)phenyl propylcarbamate

2-(3-(3-bromopropoxy)phenyl)benzo[d]oxazole