5-Chloro-2-phenyloxazole-4-carbaldehyde

Base Information

• Chemical Name: 5-Chloro-2-phenyloxazole-4-carbaldehyde
• CAS No.: 54644-13-2
• Molecular Formula: C₁₀H₆ClNO₂
• Molecular Weight: 207.616
• DSSTox Substance ID: DTXSID301270956
• Nikkaji Number: J2.902.037J
• Mol file: 54644-13-2.mol

Synonyms:5-chloro-2-phenyloxazole-4-carbaldehyde;54644-13-2;DTXSID301270956;AKOS004904460;5-Chloro-2-phenyl-4-oxazolecarboxaldehyde

Chemical Property of 5-Chloro-2-phenyloxazole-4-carbaldehyde

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 207.0087061
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=C(O2)Cl)C=O

Technology Process of 5-Chloro-2-phenyloxazole-4-carbaldehyde

There total 9 articles about 5-Chloro-2-phenyloxazole-4-carbaldehyde 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: 76.0%

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-chloro-2-phenyloxazole-4-carbaldehyde (54644-13-2)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate;

Hippuric Acid;

DOI:10.3987/COM-10-12090

Reference yield: 75.0%

5-methoxy-2-phenyloxazole (40527-16-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-chloro-2-phenyloxazole-4-carbaldehyde (54644-13-2)

Guidance literature:

With trichlorophosphate; at 90 ℃; for 2h;

Reference yield: 55.0%

methyl hippurate (1205-08-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-chloro-2-phenyloxazole-4-carbaldehyde (54644-13-2)

Guidance literature:

N,N-dimethyl-formamide; With bis(trichloromethyl) carbonate; In toluene; at 0 - 20 ℃;

methyl hippurate; In toluene; at 90 ℃; for 4h;

DOI:10.3987/COM-10-12090

upstream raw materials:

2-phenyl-4-cyano-5-chlorooxazole

5-methoxy-2-phenyloxazole

N,N-dimethyl-formamide

2-phenyl-5-chloro-1,3-oxazole-4-carboxamide

Downstream raw materials:

2-phenyl-1,3-oxazole-4-carbonyl chloride

3-(5-chloro-2-phenyl-oxazol-4-yl)-acrylic acid ethyl ester

2-phenyl-5-thioxo-4,5-dihydro-oxazole-4-carbaldehyde

2-phenyl-4-dimethylaminomethyleneoxazole-5-thione