(Z)-4-(4-Bromobenzylidene)-2-phenyloxazol-5(4H)-one

Base Information

• Chemical Name: (Z)-4-(4-Bromobenzylidene)-2-phenyloxazol-5(4H)-one
• CAS No.: 20345-16-8
• Molecular Formula: C16H10BrNO2
• Molecular Weight: 328.165
• NSC Number: 630917,339480
• Nikkaji Number: J1.726.070G
• ChEMBL ID: CHEMBL1994121
• Mol file: 20345-16-8.mol

Synonyms:(Z)-4-(4-Bromobenzylidene)-2-phenyloxazol-5(4H)-one;469898-10-0;NSC630917;(4Z)-4-(4-bromobenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one;4-(4-Bromobenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one;CHEMBL1994121;NSC339480;STK026610;(4Z)-4-[(4-bromophenyl)methylidene]-2-phenyl-4,5-dihydro-1,3-oxazol-5-one;AKOS000479499;NSC-339480;NSC-630917;A924197;SR-01000417469;SR-01000417469-1;(4z)-4-(4-bromobenzylidene)-2-phenyloxazol-5(4h)-one;4-[(Z)-4-Bromobenzylidene]-2-phenyloxazole-5(4H)-one;(4Z)-4-[(4-bromophenyl)methylene]-2-phenyl-oxazol-5-one

Chemical Property of (Z)-4-(4-Bromobenzylidene)-2-phenyloxazol-5(4H)-one

Chemical Property:

• Vapor Pressure: 8.4E-08mmHg at 25°C
• Boiling Point: 436°C at 760 mmHg
• Flash Point: 217.5°C
• Density: 1.45g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 326.98949
• 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)C2=NC(=CC3=CC=C(C=C3)Br)C(=O)O2
• Isomeric SMILES: C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)Br)/C(=O)O2

Technology Process of (Z)-4-(4-Bromobenzylidene)-2-phenyloxazol-5(4H)-one

There total 7 articles about (Z)-4-(4-Bromobenzylidene)-2-phenyloxazol-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: 98.0%

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + 4-bromo-benzaldehyde (1122-91-4) → 4-(4-bromobenzylidene)-2-phenyl-5(4H)oxazolone (20345-16-8)

Guidance literature:

With iron(III) oxide; acetic anhydride; at 25 - 30 ℃; for 0.166667h; Sonication; Irradiation;

DOI:10.1016/j.ultsonch.2012.07.008

Reference yield: 95.0%

sodium hippurate (532-94-5) + 4-bromo-benzaldehyde (1122-91-4) → 4-(4-bromobenzylidene)-2-phenyl-5(4H)oxazolone (20345-16-8)

Guidance literature:

With sodium acetate; acetic anhydride; triethylamine sulfate; In neat (no solvent); at 90 ℃; Green chemistry;

DOI:10.1080/00397911.2017.1340649

Reference yield: 90.0%

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + 4-bromobenzenemethanol (873-75-6) → 4-(4-bromobenzylidene)-2-phenyl-5(4H)oxazolone (20345-16-8)

Guidance literature:

4-bromobenzenemethanol; With di[1,6-bis(3-methylimidazolium-1-yl)hexane]decatungstate; 1-butyl-3-methylimidazolium nitrate; at 80 ℃;

Hippuric Acid; With acetic anhydride; at 80 ℃;

DOI:10.1007/s00706-011-0533-3

upstream raw materials:

Hippuric Acid

4-bromo-benzaldehyde

1,3-diphenyl-1H-pyrazol-5-amine

4-bromobenzenemethanol

Downstream raw materials:

C₂₂H₂₈BrN₄O₂P

N-[(Z)-2-(4-Bromo-phenyl)-1-hydrazinocarbonyl-vinyl]-benzamide

3-(4-bromobenzyl)-6,7-dimethylquinoxalin-2(1H)-one

N-benzyl-2-(benzamido)-3-(4-bromophenyl)acrylamide