(4Z)-4-benzylidene-2-(4-chlorophenyl)-1,3-oxazol-5(4H)-one

Base Information

• Chemical Name: (4Z)-4-benzylidene-2-(4-chlorophenyl)-1,3-oxazol-5(4H)-one
• CAS No.: 34108-14-0
• Molecular Formula: C16H10 Cl N O2
• Molecular Weight: 283.714
• NSC Number: 148172
• ChEMBL ID: CHEMBL1988306

Synonyms:34108-14-0;NSC148172;CHEMBL1988306;HMS1508M02;(4Z)-4-benzylidene-2-(4-chlorophenyl)-1,3-oxazol-5(4H)-one;AKOS001208919;NSC-148172;SR-01000552703;4-Benzylidene-2-(4-chlorophenyl)oxazol-5(4H)-one;SR-01000552703-1

Chemical Property of (4Z)-4-benzylidene-2-(4-chlorophenyl)-1,3-oxazol-5(4H)-one

Chemical Property:

• Vapor Pressure: 6.15E-07mmHg at 25°C
• Boiling Point: 410.2°C at 760 mmHg
• Flash Point: 201.9°C
• Density: 1.27g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 283.0400063
• Heavy Atom Count: 20
• Complexity: 430

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Cl
• Isomeric SMILES: C1=CC=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)Cl

Technology Process of (4Z)-4-benzylidene-2-(4-chlorophenyl)-1,3-oxazol-5(4H)-one

There total 5 articles about (4Z)-4-benzylidene-2-(4-chlorophenyl)-1,3-oxazol-5(4H)-one 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: 71.0%

4-chlorohippuric acid (13450-77-6) + benzaldehyde (100-52-7) → 4-Benzylidene-2-(4-chlorophenyl)-5-oxo-4,5-dihydro-1,3-oxazole (34108-14-0)

Guidance literature:

With sodium acetate; acetic anhydride; for 1h; Heating;

DOI:10.1055/s-1981-29600

Reference yield:

4-chlorohippuric acid (13450-77-6) + benzaldehyde (100-52-7) → 4-((Z)-benzylidene)-2-(4-chloro-phenyl)-4H-oxazol-5-one (34108-14-0)

Guidance literature:

With sodium acetate; acetic anhydride; at 100 ℃;

DOI:10.1016/S0960-894X(00)00544-8

Reference yield:

4-chlorohippuric acid (13450-77-6) → 4-((Z)-benzylidene)-2-(4-chloro-phenyl)-4H-oxazol-5-one (34108-14-0)

Guidance literature:

DOI:10.1039/jr9590000729

upstream raw materials:

2-(4-Chlorphenyl)-4,5-dihydro-1,3-oxazol-5-on

benzaldehyde

4-chlorohippuric acid

Downstream raw materials:

α-(4-chloro-benzoylamino)-trans-cinnamic acid

N-<2-(2,5-Dimethylphenyl)-2-oxoethyl>-4-chlorobenzamide

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