[2-(Propan-2-yl)cyclobut-1-en-1-yl]benzene

Base Information

Chemical Name:[2-(Propan-2-yl)cyclobut-1-en-1-yl]benzene
CAS No.:647028-09-9
Molecular Formula:C13H16
Molecular Weight:172.26614
Hs Code.:
DSSTox Substance ID:DTXSID80478122
Wikidata:Q82311317
Mol file:647028-09-9.mol

Synonyms:647028-09-9;[2-(Propan-2-yl)cyclobut-1-en-1-yl]benzene;DTXSID80478122;Benzene,[2-(1-methylethyl)-1-cyclobuten-1-yl]-(9ci)

Suppliers and Price of [2-(Propan-2-yl)cyclobut-1-en-1-yl]benzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of [2-(Propan-2-yl)cyclobut-1-en-1-yl]benzene

Chemical Property:

PSA：0.00000
LogP:3.89000
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:172.125200510
Heavy Atom Count:13
Complexity:204

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=C(CC1)C2=CC=CC=C2

Technology Process of [2-(Propan-2-yl)cyclobut-1-en-1-yl]benzene

There total 2 articles about [2-(Propan-2-yl)cyclobut-1-en-1-yl]benzene 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: 74.0%

: 625-81-0
diisopropyl zinc

: 647028-03-3
1-phenylsulfonyl-2-phenyl-1-cyclobutene

: 647028-09-9
(2-isopropyl-1-cyclobuten-1-yl)benzene

Guidance literature:: With CuCN*2LiCl; In tetrahydrofuran; diethyl ether; at -78 ℃; for 1h;
DOI:10.1002/chem.200304902

Reference yield:

: 100-59-4
phenylmagnesium chloride

: 647028-09-9
(2-isopropyl-1-cyclobuten-1-yl)benzene

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / tetrahydrofuran / 0.5 h / 0 °C

2: 74 percent / CuCN*2LiCl / tetrahydrofuran; diethyl ether / 1 h / -78 °C

With CuCN*2LiCl; In tetrahydrofuran; diethyl ether;
DOI:10.1002/chem.200304902

Reference yield:

: 647028-09-9
(2-isopropyl-1-cyclobuten-1-yl)benzene

: (1S,4R)-5-methyl-1-phenylhexane-1,4-diol

: syn-5-methyl-1-phenyl-1,4-hexanediol

Guidance literature:: (2-isopropyl-1-cyclobuten-1-yl)benzene; With borane-THF; In tetrahydrofuran; at 0 - 40 ℃; for 16.5h;

With sodium hydroxide; dihydrogen peroxide; In tetrahydrofuran; at 0 ℃; Further stages. Title compound not separated from byproducts.;
DOI:10.1002/chem.200304902