5-Chloro-2-(4-nitrophenyl)-1,3-benzoxazole

Base Information

• Chemical Name: 5-Chloro-2-(4-nitrophenyl)-1,3-benzoxazole
• CAS No.: 893-18-5
• Molecular Formula: C₁₃H₇ClN₂O₃
• Molecular Weight: 274.663
• DSSTox Substance ID: DTXSID201286069
• Nikkaji Number: J358.191H
• ChEMBL ID: CHEMBL233320

Synonyms:5-chloro-2-(4-nitrophenyl)-1,3-benzoxazole;5-chloro-2-(4-nitrophenyl)benzoxazole;CHEMBL233320;DTXSID201286069;STK347629;AKOS001603181;2-(4-Nitrophenyl)-5-chlorobenzoxazole;893-18-5;EU-0070273;SR-01000421285;SR-01000421285-1

Chemical Property of 5-Chloro-2-(4-nitrophenyl)-1,3-benzoxazole

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 274.0145198
• Heavy Atom Count: 19
• Complexity: 341

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]

Technology Process of 5-Chloro-2-(4-nitrophenyl)-1,3-benzoxazole

There total 9 articles about 5-Chloro-2-(4-nitrophenyl)-1,3-benzoxazole 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: 92.0%

4-nitrobenzaldehdye (555-16-8) + 2-hydroxy-5-chloro-aniline (95-85-2) → 5-chloro-2-(4-nitrophenyl)-1,3-benzoxazole (893-18-5)

Guidance literature:

With oxygen; 4-methoxy-2,2,6,6-tetramethylpiperidin-1-oxyl radical; In 5,5-dimethyl-1,3-cyclohexadiene; at 120 ℃; for 10h;

DOI:10.1002/anie.200803381

Reference yield: 83.0%

4-chloro-2-(4-nitro-benzylidenamino)-phenol (64073-87-6) → 5-chloro-2-(4-nitrophenyl)-1,3-benzoxazole (893-18-5)

Guidance literature:

With potassium permanganate; acetic acid; In neat (no solvent); at 20 ℃; for 0.0833333h;

DOI:10.1007/s13738-015-0795-5

Reference yield: 58.0%

N-(2-hydroxy-phenyl)-4-nitro-benzamide (3743-17-7) → 5-chloro-2-(4-nitrophenyl)-1,3-benzoxazole (893-18-5)

Guidance literature:

With iron(III) chloride hexahydrate; In toluene; at 140 ℃; for 20h; Sealed tube;

DOI:10.1002/adsc.202101359

upstream raw materials:

p-chloro-o-nitrophenol

4-nitrobenzaldehdye

4-chloro-2-(4-nitro-benzylidenamino)-phenol

2-hydroxy-5-chloro-aniline

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