(4Z)-4-benzylidene-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one

Base Information

• Chemical Name: (4Z)-4-benzylidene-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
• CAS No.: 49659-69-0
• Molecular Formula: C18H13 N O2
• Molecular Weight: 275.307
• NSC Number: 367607,201795
• DSSTox Substance ID: DTXSID70364368
• Wikidata: Q82148296
• Mol file: 49659-69-0.mol

Synonyms:NSC367607;49659-69-0;SCHEMBL22645306;DTXSID70364368;40913-25-5;NSC201795;NSC-201795;NSC-367607

Chemical Property of (4Z)-4-benzylidene-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one

Chemical Property:

• Vapor Pressure: 2.08E-07mmHg at 25°C
• Boiling Point: 424.4°Cat760mmHg
• Flash Point: 186.8°C
• Density: 1.12g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 275.094628657
• Heavy Atom Count: 21
• Complexity: 464

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC2=NC(=CC3=CC=CC=C3)C(=O)O2
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C2=N/C(=C\C3=CC=CC=C3)/C(=O)O2

Technology Process of (4Z)-4-benzylidene-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one

There total 9 articles about (4Z)-4-benzylidene-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-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: 68.0%

N-cinnamoylamino glycine (115127-03-2) + benzaldehyde (100-52-7) → 4-benzylidene-2-styryloxazolin-5-one (49659-69-0)

Guidance literature:

In benzene; for 0.166667h; Heating;

DOI:10.1055/s-1980-29228

Reference yield: 65.0%

(E)-cinnamoylglycine (16534-24-0,62430-40-4) + benzaldehyde (100-52-7) → 4-benzylidene-2-styryloxazolin-5-one (49659-69-0)

Guidance literature:

With acetic anhydride; for 0.25h; Heating;

DOI:10.1248/cpb.c18-00398

Reference yield: 28.5%

→ thiomethyl ester + 4-Benzylidene-2-styryl-Δ2-1,3-oxazolin-5-one (40913-25-5,49659-69-0,77012-49-8,81419-90-1)

Guidance literature:

upstream raw materials:

(Z)-3-Phenyl-2-[(E)-(3-phenyl-acryloyl)amino]-acrylic acid

chloroformic acid ethyl ester

benzaldehyde

(Z)-4-benzylidene-2-methyl-5(4H)-oxazolone

Downstream raw materials:

(Z)-3,N-Diphenyl-2-[(E)-(3-phenyl-acryloyl)amino]-acrylamide

1-phenyl-2-((1E)-2-phenylvinyl)-4-phenylmethylene-2-imidazolin-5-one

5-benzylidene-3-propyl-2-styryl-3,5-dihydro-imidazol-4-one

3-Phenyl-5-[1-phenyl-meth-(Z)-ylidene]-2-((E)-styryl)-3,5-dihydro-imidazol-4-one