2-Phenyl-alpha-methyl-5-benzoxazoleacetic acid

Base Information

Chemical Name:2-Phenyl-alpha-methyl-5-benzoxazoleacetic acid
CAS No.:51234-26-5
Molecular Formula:C16H13NO3
Molecular Weight:267.2793
Hs Code.:2934999090
DSSTox Substance ID:DTXSID40965503
Nikkaji Number:J67.874K

Synonyms:BRN 1082154;2-Phenyl-alpha-methyl-5-benzoxazoleacetic acid;5-BENZOXAZOLEACETIC ACID, alpha-METHYL-2-PHENYL-;51234-26-5;2-(2-phenyl-1,3-benzoxazol-5-yl)propanoic acid;SCHEMBL9706321;DTXSID40965503;LS-42105;alpha-Methyl-2-phenyl-5-benzoxazoleacetic acid;5-Benzoxazoleacetic acid, .alpha.-methyl-2-phenyl-

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-Phenyl-alpha-methyl-5-benzoxazoleacetic acid

Chemical Property:

Vapor Pressure:5.94E-08mmHg at 25°C
Melting Point:177-179 °C(Solv: acetone (67-64-1); water (7732-18-5))
Boiling Point:424.2°Cat760mmHg
PKA:4.38±0.30(Predicted)
Flash Point:210.3°C
PSA：63.33000
Density:1.275g/cm³
LogP:3.68290
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:267.08954328
Heavy Atom Count:20
Complexity:354

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3)C(=O)O

Technology Process of 2-Phenyl-alpha-methyl-5-benzoxazoleacetic acid

There total 7 articles about 2-Phenyl-alpha-methyl-5-benzoxazoleacetic acid 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:

: 51234-25-4
2-(2-phenyl-benzooxazol-5-yl)-propionitrile

: 51234-26-5
2-(2-phenyl-benzooxazol-5-yl)-propionic acid

Guidance literature:: With hydrogenchloride; for 2.5h; Heating;
DOI:10.1021/jm00235a012

Reference yield:

: 21850-61-3
2-(4-hydroxyphenyl)propanenitrile

: 51234-26-5
2-(2-phenyl-benzooxazol-5-yl)-propionic acid

Guidance literature:: Multi-step reaction with 4 steps

1: HNO₃ / acetic acid

2: SnCl₂, aq. HCl / ethanol

3: Py

4: aq. HCl / 2.5 h / Heating

With pyridine; hydrogenchloride; nitric acid; tin(ll) chloride; In ethanol; acetic acid;
DOI:10.1021/jm00235a012

Reference yield:

: 51234-22-1,66934-21-2
3-nitro-4-hydroxyphenyl-α-methyl-acetonitrile

: 51234-26-5
2-(2-phenyl-benzooxazol-5-yl)-propionic acid

Guidance literature:: Multi-step reaction with 3 steps

1: SnCl₂, aq. HCl / ethanol

2: Py

3: aq. HCl / 2.5 h / Heating

With pyridine; hydrogenchloride; tin(ll) chloride; In ethanol;
DOI:10.1021/jm00235a012