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

Base Information

Chemical Name:2-(4-Iodophenyl)-alpha-methyl-5-benzoxazoleacetic acid
CAS No.:51234-74-3
Molecular Formula:C₁₆H₁₂INO₃
Molecular Weight:393.181
Hs Code.:
DSSTox Substance ID:DTXSID20965521
Nikkaji Number:J67.871F
Mol file:51234-74-3.mol

Synonyms:BRN 1085081;2-(4-Iodophenyl)-alpha-methyl-5-benzoxazoleacetic acid;51234-74-3;5-BENZOXAZOLEACETIC ACID, 2-(4-IODOPHENYL)-alpha-METHYL-;C16H12INO3;2-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]propanoic acid;DTXSID20965521;C16-H12-I-N-O3;LS-42097;5-Benzoxazoleacetic acid, 2-(4-iodophenyl)-.alpha.-methyl-

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

Chemical Property:

Vapor Pressure:7.95E-10mmHg at 25°C
Melting Point:205-208 °C
Boiling Point:474.9°C at 760 mmHg
PKA:4.36±0.30(Predicted)
Flash Point:241°C
PSA：63.33000
Density:1.697g/cm³
LogP:4.28750
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:392.98619
Heavy Atom Count:21
Complexity:384

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)I)C(=O)O

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

There total 6 articles about 2-(4-Iodophenyl)-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

: 51234-74-3
2-[2-(4-iodo-phenyl)-benzooxazol-5-yl]-propionic acid

Guidance literature:: Multi-step reaction with 3 steps

1: SnCl₂, aq. HCl / ethanol

2: aq. HCl / Heating

3: Py

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

Reference yield:

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

: 51234-74-3
2-[2-(4-iodo-phenyl)-benzooxazol-5-yl]-propionic acid

Guidance literature:: Multi-step reaction with 5 steps

1: (i) NaNO₂, aq. HCl, (ii) aq. H₂SO₄

2: HNO₃ / acetic acid

3: SnCl₂, aq. HCl / ethanol

4: aq. HCl / Heating

5: Py

With pyridine; 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

: 51234-74-3
2-[2-(4-iodo-phenyl)-benzooxazol-5-yl]-propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: aq. HCl / Heating

2: Py

With pyridine; hydrogenchloride;
DOI:10.1021/jm00235a012