2-(2-Hydroxyphenyl)benzoxazole

Base Information

• Chemical Name: 2-(2-Hydroxyphenyl)benzoxazole
• CAS No.: 835-64-3
• Molecular Formula: C13H9 N O2
• Molecular Weight: 211.22
• Hs Code.: 2934999090
• European Community (EC) Number: 212-642-0
• NSC Number: 403545,5423
• UNII: RG8GW8KSU5
• DSSTox Substance ID: DTXSID4061200
• Nikkaji Number: J1.920.095G,J50.087I,J2.502.083I
• Wikidata: Q72480969
• ChEMBL ID: CHEMBL1650631
• Mol file: 835-64-3.mol

Synonyms:2-(2'-hydroxyphenyl)benzoxazole;2-2'-HPB

Chemical Property of 2-(2-Hydroxyphenyl)benzoxazole

Chemical Property:

• Appearance/Colour: pink to reddish crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 122-124oC(lit.)
• Refractive Index: 6.71E-13 (355 nm)
• Boiling Point: 338 °C(lit.)
• PKA: 8.04(at 25℃)
• Flash Point: 158.193°C
• PSA: 46.26000
• Density: 1.294g/cm³
• LogP: 3.20040
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Solubility Insoluble in water; soluble in ethanol
• 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:

98%,99%, ^*data from raw suppliers

2-(2-Hydroxyphenyl)benzoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)O

Technology Process of 2-(2-Hydroxyphenyl)benzoxazole

There total 48 articles about 2-(2-Hydroxyphenyl)benzoxazole 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: 99.0%

N-(2-bromophenyl)-2-hydroxybenzamide (6149-66-2) → 2-(2-Hydroxyphenyl)benzoxazole (835-64-3)

Guidance literature:

With copper(l) iodide; 4-phenyl-1-(3-O-benzyl-6-deoxy-1,2-O-isopropylidene-α-D-glucofuranos-6-yl)-1H-1,2,3-triazole; potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 10h; Inert atmosphere; Sealed tube;

DOI:10.1021/acscombsci.9b00004

Reference yield: 98.0%

salicylaldehyde (90-02-8) + 2-amino-phenol (95-55-6) → 2-(2-Hydroxyphenyl)benzoxazole (835-64-3)

Guidance literature:

With ISO-PECH polyamine catalyst; In methanol; at 20 ℃; for 0.05h; Green chemistry;

DOI:10.1002/jhet.4046

Reference yield: 96.0%

2,2'-bishydroxybenzophenone oxime (54758-73-5) → 2-(2-Hydroxyphenyl)benzoxazole (835-64-3)

Guidance literature:

With diethyl chlorophosphate; In toluene; for 0.0833333h; Reflux;

DOI:10.1055/s-2008-1072767

upstream raw materials:

2-[[(2-hydroxyphenyl)imino]methyl]phenol

phenyl Salicylate

2-amino-phenol

salicylaldehyde

Downstream raw materials:

2-(benzo[d]oxazol-2-yl)phenyl acetate

[2-(2-benzooxazol-2-yl-phenoxy)-ethyl]-diethyl-amine

2-(2-methoxyphenyl)-1,3-benzoxazole

5-(1,3-benzoxazol-2-yl)-4-hydroxyisophthalic aldehyde

Refernces

• 1、 Back, Davi Fernando,Manzoni de Oliveira, Gelson,Ballin, Marco Aurélio,Corbellini, Valeriano Antonio. "Complexes of vanadyl and uranyl ions with a benzoxazole derivative: Synthesis, structural features and remarks on luminescence properties". . p. 807 - 812. Retrieved 2010.
• 2、 Kottayil, Hiba,Machingal, Shaibuna,Parackal B., Sherly mole,Alungal M., Shebitha,Theresa, Letcy V.,Govindan, Avudaiappan,Krishnapillai, Sreekumar. "Development of homogeneous polyamine organocatalyst for the synthesis of 2-aryl-substituted benzimidazole and benzoxazole derivatives". . p. 3310 - 3317. Retrieved 2020/07/17.
• 3、 Guan, Jiali,Liu, Wei,Liu, Yuchen,Song, Zhibin,Tao, Duan-Jian,Yan, Jieying,Yuan, Jian-Jun,Zhou, Youkang. "Oxidative NHC catalysis for base-free synthesis of benzoxazinones and benzoazoles by thermal activated NHCs precursor ionic liquid catalyst using air as oxidant". . . Retrieved 2020/05/25.