alpha-Methyl-2-(4-(methylsulfonyl)phenyl)-5-benzoxazoleacetic acid

Base Information

Chemical Name:alpha-Methyl-2-(4-(methylsulfonyl)phenyl)-5-benzoxazoleacetic acid
CAS No.:54785-41-0
Molecular Formula:C₁₇H₁₅NO₅S
Molecular Weight:345.376
Hs Code.:
DSSTox Substance ID:DTXSID60970119

Synonyms:BRN 0572221;alpha-Methyl-2-(4-(methylsulfonyl)phenyl)-5-benzoxazoleacetic acid;5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)-;54785-41-0;DTXSID60970119;LS-42102;2-{2-[4-(Methanesulfonyl)phenyl]-1,3-benzoxazol-5-yl}propanoic acid

Suppliers and Price of alpha-Methyl-2-(4-(methylsulfonyl)phenyl)-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 1 raw suppliers

Chemical Property of alpha-Methyl-2-(4-(methylsulfonyl)phenyl)-5-benzoxazoleacetic acid

Chemical Property:

Vapor Pressure:3.7E-13mmHg at 25°C
Boiling Point:555.1°Cat760mmHg
Flash Point:289.5°C
Density:1.374g/cm³
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:345.06709375
Heavy Atom Count:24
Complexity:564

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)S(=O)(=O)C)C(=O)O

Technology Process of alpha-Methyl-2-(4-(methylsulfonyl)phenyl)-5-benzoxazoleacetic acid

There total 8 articles about alpha-Methyl-2-(4-(methylsulfonyl)phenyl)-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

: 54785-41-0
2-[2-(4-methanesulfonyl-phenyl)-benzooxazol-5-yl]-propionic acid

Guidance literature:: Multi-step reaction with 6 steps

1: HNO₃ / acetic acid

2: SnCl₂, aq. HCl / ethanol

3: aq. HCl / Heating

4: HCl / Heating

5: Py

6: aq. NaOH / ethanol / 4.5 h / Ambient temperature

With pyridine; hydrogenchloride; sodium hydroxide; 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

: 54785-41-0
2-[2-(4-methanesulfonyl-phenyl)-benzooxazol-5-yl]-propionic acid

Guidance literature:: Multi-step reaction with 5 steps

1: SnCl₂, aq. HCl / ethanol

2: aq. HCl / Heating

3: HCl / Heating

4: Py

5: aq. NaOH / ethanol / 4.5 h / Ambient temperature

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

Reference yield:

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

: 54785-41-0
2-[2-(4-methanesulfonyl-phenyl)-benzooxazol-5-yl]-propionic acid

Guidance literature:: Multi-step reaction with 7 steps

1: (i) NaNO₂, aq. HCl, (ii) aq. H₂SO₄

2: HNO₃ / acetic acid

3: SnCl₂, aq. HCl / ethanol

4: aq. HCl / Heating

5: HCl / Heating

6: Py

7: aq. NaOH / ethanol / 4.5 h / Ambient temperature

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