2-(3-Amino-4-methoxyphenyl)-5-phenylbenzoxazole

Base Information

• Chemical Name: 2-(3-Amino-4-methoxyphenyl)-5-phenylbenzoxazole
• CAS No.: 599201-51-1
• Molecular Formula: C20H16N2O2
• Molecular Weight: 316.35
• DSSTox Substance ID: DTXSID40433550
• Wikidata: Q82247717
• Mol file: 599201-51-1.mol

Synonyms:599201-51-1;3'-Amino-4'-methoxy-phenyl-2-(p-phenyl)-benzoxazole;2-(3-Amino-4-methoxyphenyl)-5-phenylbenzoxazole;2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)aniline;SCHEMBL5834493;DTXSID40433550;ORQCVARUEKAYEL-UHFFFAOYSA-N;FT-0661883

Chemical Property of 2-(3-Amino-4-methoxyphenyl)-5-phenylbenzoxazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.659
• Boiling Point: 508.449 °C at 760 mmHg
• PKA: 3.65±0.10(Predicted)
• Flash Point: 261.301 °C
• PSA: 61.28000
• Density: 1.234 g/cm³
• LogP: 5.33380
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 316.121177757
• Heavy Atom Count: 24
• Complexity: 412

Purity/Quality:

99% ^*data from raw suppliers

3''-Amino-4''-methoxy-phenyl-2-(p-phenyl)-benzoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC=CC=C4)N

Technology Process of 2-(3-Amino-4-methoxyphenyl)-5-phenylbenzoxazole

There total 6 articles about 2-(3-Amino-4-methoxyphenyl)-5-phenylbenzoxazole 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: 10.0%

→ 2-(3-amino-4-methoxyphenyl)-5-phenylbenzoxazole (599201-51-1)

Guidance literature:

Reference yield:

3-amino-4-methoxybenzoic acid (2840-26-8) + 2-amino-4-phenylphenol (1134-36-7) → 2-(3-amino-4-methoxyphenyl)-5-phenylbenzoxazole (599201-51-1)

Guidance literature:

With PPA; at 200 ℃; for 4h;

Reference yield:

2-(4-methoxy-3-nitro-phenyl)-5-phenyl-benzooxazole → 2-(3-amino-4-methoxyphenyl)-5-phenylbenzoxazole (599201-51-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1016/j.bmcl.2004.03.086

upstream raw materials:

4-methoxy-3-nitrobenzoyl chloride

4-methoxy-3-nitrobenzoic acid

3-amino-4-methoxybenzoic acid

2-amino-4-phenylphenol