cis-1,2-Dibenzoylethylene

Base Information

• Chemical Name: cis-1,2-Dibenzoylethylene
• CAS No.: 959-27-3
• Molecular Formula: C16H12O2
• Molecular Weight: 236.27
• Hs Code.: 2914399090
• NSC Number: 120596
• Nikkaji Number: J344.138E
• Mol file: 959-27-3.mol

Synonyms:cis-1,2-Dibenzoylethylene;959-27-3;cis-Diphenacyledene;cis-Dibenzoylethylene;2-Butene-1,4-dione, 1,4-diphenyl-, (Z)-;SCHEMBL11073619;NSC120596;NSC-120596;2-Butene-1, 1,4-diphenyl-, (Z)-

Chemical Property of cis-1,2-Dibenzoylethylene

Chemical Property:

• PSA: 34.14000
• LogP: 3.30840
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 236.083729621
• Heavy Atom Count: 18
• Complexity: 286

Purity/Quality:

85.0-99.8% ^*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(=O)C=CC(=O)C2=CC=CC=C2
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C=C\C(=O)C2=CC=CC=C2

Technology Process of cis-1,2-Dibenzoylethylene

There total 61 articles about cis-1,2-Dibenzoylethylene 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: 90.0%

((2S,3R)-oxirane-2,3-diyl)bis(phenylmethanone) (84269-42-1) → 1,4-diphenyl-2-hydroxy-1,4-butanedione (4440-99-7) + (Z)-1,4-diphenylbut-2-ene-1,4-dione (959-27-3) + 1,4-diphenylbut-2-ene-1,4-dione (959-28-4)

Guidance literature:

With antimony(III) chloride; tetra-(n-butyl)ammonium iodide; sodium thiosulfate; In tetrahydrofuran; at 0 - 23 ℃; for 65h;

DOI:10.1080/00397910500180121

Reference yield: 80.0%

phenylglyoxal hydrate (1074-12-0) + (Benzoylmethylene)triphenylphosphorane (20913-05-7,859-65-4) → (Z)-1,4-diphenylbut-2-ene-1,4-dione (959-27-3) + 1,4-diphenylbut-2-ene-1,4-dione (959-28-4)

Guidance literature:

In dichloromethane; for 24h; Yields of byproduct given; Ambient temperature;

Reference yield: 55.0%

2-<1-(3,5-diphenylpyrazolyl)>-1,4-diphenylbutane-1,4-dione (92670-73-0) → 3,5-Diphenylpyrazole (1145-01-3) + (Z)-1,4-diphenylbut-2-ene-1,4-dione (959-27-3)

Guidance literature:

In benzene; for 1h; Product distribution; Irradiation; photolysis in acetone and methanol;

DOI:10.1021/jo00198a014

upstream raw materials:

2,5-diphenylfuran

chloroform

lead(IV) tetraacetate

(Z)-1,4-diphenylbut-2-ene-1,4-diol

Downstream raw materials:

3,4-dibenzoyl-4,5-dihydro-1H-pyrazole

(6-benzoyl-3,4-dimethylcyclohex-3-enyl)(phenyl)methanone

trans-2,3-Epoxy-1,4-diphenyl-1,4-butanedione

3-chloro-2,5-diphenyl-furan