3-Phenylcyclobutenone

Base Information

• Chemical Name: 3-Phenylcyclobutenone
• CAS No.: 38425-47-7
• Molecular Formula: C10H8O
• Molecular Weight: 144.173
• DSSTox Substance ID: DTXSID30191758
• Nikkaji Number: J628.064A
• Wikidata: Q83064337
• Mol file: 38425-47-7.mol

Synonyms:3-Phenylcyclobutenone;3-phenylcyclobut-2-en-1-one;38425-47-7;SCHEMBL7959486;3-phenyl-cyclobut-2-en-1-one;DTXSID30191758;EN300-4414477

Chemical Property of 3-Phenylcyclobutenone

Chemical Property:

• Vapor Pressure: 0.0299mmHg at 25°C
• Boiling Point: 244.7°Cat760mmHg
• Flash Point: 91.5°C
• Density: 1.172g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 144.057514874
• Heavy Atom Count: 11
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(=CC1=O)C2=CC=CC=C2

Technology Process of 3-Phenylcyclobutenone

There total 21 articles about 3-Phenylcyclobutenone 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: 72.0%

Acetic acid 1-phenyl-3-phenylsulfanyl-3-trimethylsilanyloxy-cyclobutyl ester (86574-03-0) → 3-phenyl-2-cyclobuten-1-one (38425-47-7)

Guidance literature:

With water; silver nitrate; In tetrahydrofuran;

DOI:10.1246/cl.1983.549

Reference yield: 59.0%

iodobenzene (591-50-4) + 3-(Tri-n-butylstannyl)-2-cyclobutenone → 3-phenyl-2-cyclobuten-1-one (38425-47-7)

Guidance literature:

trans benzyl(chloro)bis(triphenylphosphine)palladium(II); In acetonitrile; for 2h; Ambient temperature;

DOI:10.1021/jo00104a060

Reference yield: 15.0%

4,4-dichloro-3-phenyl-2-cyclobuten-1-one (3470-35-7) → 3-phenyl-2-cyclobuten-1-one (38425-47-7) + 3-Phenylcyclobutanone (52784-31-3)

Guidance literature:

With pyridine; acetic acid; zinc; for 0.333333h; Ambient temperature;

DOI:10.1021/jo00083a019

upstream raw materials:

3-Benzenesulfonyl-3-phenyl-cyclobutanone

3-ethoxy-2-cyclobuten-1-one

4,4-dichloro-3-phenyl-2-cyclobuten-1-one

Acetic acid 1-phenyl-3-phenylsulfanyl-3-trimethylsilanyloxy-cyclobutyl ester

Downstream raw materials:

1-isopropenyl-3-phenyl-2-cyclobuten-1-ol