Bicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde

Base Information

• Chemical Name: Bicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde
• CAS No.: 78926-35-9
• Molecular Formula: C9H8O
• Molecular Weight: 132.16
• Hs Code.: 2912299000
• DSSTox Substance ID: DTXSID30506101
• Mol file: 78926-35-9.mol

Synonyms:Bicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde;78926-35-9;formylbenzocyclobutene;1-CHOBCB;SCHEMBL12719040;DTXSID30506101;AKOS006308676;AT28730;AS-81868;bicyclo[4.2.0]octa-1(6),2,4-triene-7-carbaldehyde

Chemical Property of Bicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde

Chemical Property:

• PSA: 17.07000
• LogP: 1.52520
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 132.057514874
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

Bicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde

There total 4 articles about Bicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde 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: 34.0%

1-cyanobenzocyclobutane (6809-91-2) → benzocyclobutene-1-carboxaldehyde (78926-35-9)

Guidance literature:

With diisobutylaluminium hydride; In benzene; for 1.5h;

DOI:10.1016/S0040-4020(01)97701-4

Reference yield:

o-Xylylene dichloride (612-12-4) → benzocyclobutene-1-carboxaldehyde (78926-35-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 53 percent / 647 °C / 0.08 Torr

2: 1.) Mg / 1.) THF

With magnesium;

DOI:10.1016/S0040-4039(00)88653-0

Reference yield:

α,α-dichloro-o-xylene (60973-59-3) → benzocyclobutene-1-carboxaldehyde (78926-35-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / 541 °C / 0.08 Torr

2: 1.) Mg / 1.) THF

With magnesium;

DOI:10.1016/S0040-4039(00)88653-0

upstream raw materials:

1-cyanobenzocyclobutane

1-chloro-1,2-dihydrobenzocyclobutene

N,N-dimethyl-formamide

o-Xylylene dichloride

Downstream raw materials:

benzocyclobutene-1-carboxaldehyde p-toluenesulphonylhydrazone