2-(3,5-Dichlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid

Base Information

Chemical Name:2-(3,5-Dichlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid
CAS No.:51234-76-5
Molecular Formula:C₁₆H₁₁Cl₂NO₃
Molecular Weight:336.174
Hs Code.:
DSSTox Substance ID:DTXSID40965523
Nikkaji Number:J67.865A
Mol file:51234-76-5.mol

Synonyms:BRN 1086675;2-(3,5-Dichlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid;51234-76-5;5-BENZOXAZOLEACETIC ACID, 2-(3,5-DICHLOROPHENYL)-alpha-METHYL-;DTXSID40965523;2-[2-(3,5-dichlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid;LS-42090;5-Benzoxazoleacetic acid, 2-(3,5-dichlorophenyl)-.alpha.-methyl-

Suppliers and Price of 2-(3,5-Dichlorophenyl)-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
Packaging
price

Total 3 raw suppliers

Chemical Property of 2-(3,5-Dichlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid

Chemical Property:

Vapor Pressure:2.74E-10mmHg at 25°C
Boiling Point:486.8°C at 760 mmHg
Flash Point:248.2°C
PSA：63.33000
Density:1.439g/cm³
LogP:4.98970
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:335.0115986
Heavy Atom Count:22
Complexity:412

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(=CC(=C3)Cl)Cl)C(=O)O

Technology Process of 2-(3,5-Dichlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid

There total 6 articles about 2-(3,5-Dichlorophenyl)-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:

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

: 51234-76-5
2-[2-(3,5-dichloro-phenyl)-benzooxazol-5-yl]-propionic acid

Guidance literature:: Multi-step reaction with 4 steps

1: SnCl₂, aq. HCl / ethanol

2: aq. HCl / Heating

3: HCl / Heating

4: (i) Py, (ii) aq. NaOH, EtOH

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

Reference yield:

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

: 51234-76-5
2-[2-(3,5-dichloro-phenyl)-benzooxazol-5-yl]-propionic acid

Guidance literature:: Multi-step reaction with 6 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: (i) Py, (ii) aq. NaOH, EtOH

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

Reference yield:

: 51234-23-2,66934-23-4
2-(3-amino-4-hydroxyphenyl)-propionitrile

: 51234-76-5
2-[2-(3,5-dichloro-phenyl)-benzooxazol-5-yl]-propionic acid

Guidance literature:: Multi-step reaction with 3 steps

1: aq. HCl / Heating

2: HCl / Heating

3: (i) Py, (ii) aq. NaOH, EtOH

With hydrogenchloride;
DOI:10.1021/jm00235a012