Bicyclo(4.2.0)octa-1,3,5-triene, 7-benzoyl-

Base Information

• Chemical Name: Bicyclo(4.2.0)octa-1,3,5-triene, 7-benzoyl-
• CAS No.: 6809-94-5
• Molecular Formula: C₁₅H₁₂O
• Molecular Weight: 208.26
• DSSTox Substance ID: DTXSID90987533
• Nikkaji Number: J41.523E
• Mol file: 6809-94-5.mol

Synonyms:BRN 1957075;6809-94-5;Bicyclo(4.2.0)octa-1,3,5-triene, 7-benzoyl-;Bicyclo(4.2.0)octa-1,3,5-trien-7-yl phenyl ketone;KETONE, BICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL PHENYL;DTXSID90987533;AKOS014317676;LS-87065;Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(phenyl) ketone;(Bicyclo[4.2.0]octa-1,3,5-trien-7-yl)(phenyl)methanone;Methanone, bicyclo[4.2.0]octa-1,3,5-trien-7-ylphenyl-

Chemical Property of Bicyclo(4.2.0)octa-1,3,5-triene, 7-benzoyl-

Chemical Property:

• Vapor Pressure: 4.1E-05mmHg at 25°C
• Refractive Index: 1.5361 (estimate)
• Boiling Point: 351.5°C at 760 mmHg
• Flash Point: 153.3°C
• PSA: 17.07000
• Density: 1.171g/cm³
• LogP: 3.20920
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.088815002
• Heavy Atom Count: 16
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3

Technology Process of Bicyclo(4.2.0)octa-1,3,5-triene, 7-benzoyl-

There total 2 articles about Bicyclo(4.2.0)octa-1,3,5-triene, 7-benzoyl- 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:

3-(2-chloro-phenyl)-propionitrile (7315-17-5) → 1-Benzocyclobutenylphenylketon (6809-94-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNH₂, liq. NH₃

2: diethyl ether

With ammonia; sodium amide; In diethyl ether;

DOI:10.1021/jm00323a004

Reference yield:

→ 1-Benzocyclobutenylphenylketon (6809-94-5)

Guidance literature:

1-Cyanobenzocyclobuten, C6H5MgBr;

upstream raw materials:

3-(2-chloro-phenyl)-propionitrile

Refernces