2-(4-Acetylphenyl)-alpha-methyl-5-benzoxazoleacetic acid

Base Information

Chemical Name:2-(4-Acetylphenyl)-alpha-methyl-5-benzoxazoleacetic acid
CAS No.:51234-37-8
Molecular Formula:C₁₈H₁₅NO₄
Molecular Weight:309.321
Hs Code.:
DSSTox Substance ID:DTXSID80965507
Nikkaji Number:J67.853H
Mol file:51234-37-8.mol

Synonyms:BRN 0560113;2-(4-Acetylphenyl)-alpha-methyl-5-benzoxazoleacetic acid;51234-37-8;5-BENZOXAZOLEACETIC ACID, 2-(4-ACETYLPHENYL)-alpha-METHYL-;2-[2-(4-acetylphenyl)-1,3-benzoxazol-5-yl]propanoic acid;DTXSID80965507;LS-42072;5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-.alpha.-methyl-

Suppliers and Price of 2-(4-Acetylphenyl)-alpha-methyl-5-benzoxazoleacetic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 3 raw suppliers

Chemical Property of 2-(4-Acetylphenyl)-alpha-methyl-5-benzoxazoleacetic acid

Chemical Property:

Vapor Pressure:2.01E-10mmHg at 25°C
Melting Point:208-209 °C(Solv: acetone (67-64-1))
Boiling Point:490.2°Cat760mmHg
PKA:4.35±0.30(Predicted)
Flash Point:250.2°C
PSA：80.40000
Density:1.283g/cm³
LogP:3.88550
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:309.10010796
Heavy Atom Count:23
Complexity:458

Purity/Quality:: 99% ^*data from raw suppliers

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=C(C=C3)C(=O)C)C(=O)O

Technology Process of 2-(4-Acetylphenyl)-alpha-methyl-5-benzoxazoleacetic acid

There total 5 articles about 2-(4-Acetylphenyl)-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:

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

: 51234-37-8
2-[2-(4-acetyl-phenyl)-benzooxazol-5-yl]-propionic acid

Guidance literature:: Multi-step reaction with 3 steps

1: HNO₃ / acetic acid

2: SnCl₂, aq. HCl / ethanol

3: (i) Py, (ii) aq. HCl

With 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

: 51234-37-8
2-[2-(4-acetyl-phenyl)-benzooxazol-5-yl]-propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: SnCl₂, aq. HCl / ethanol

2: (i) Py, (ii) aq. HCl

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

Reference yield:

: 28694-90-8
2-(4-aminophenyl)-propionitrile

: 51234-37-8
2-[2-(4-acetyl-phenyl)-benzooxazol-5-yl]-propionic acid

Guidance literature:: Multi-step reaction with 4 steps

1: (i) NaNO₂, aq. HCl, (ii) aq. H₂SO₄

2: HNO₃ / acetic acid

3: SnCl₂, aq. HCl / ethanol

4: (i) Py, (ii) aq. HCl

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