Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-methyl-

Base Information

Chemical Name:Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-methyl-
CAS No.:146558-42-1
Molecular Formula:C₁₃H₁₈
Molecular Weight:174.286
Hs Code.:
DSSTox Substance ID:DTXSID40163401
Nikkaji Number:J1.076.186G
Wikidata:Q83032294
Mol file:146558-42-1.mol

Synonyms:Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-methyl-;146558-42-1;1-(3,3-dimethylbut-1-en-2-yl)-3-methylbenzene;DTXSID40163401

Suppliers and Price of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-methyl-

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 Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-methyl-

Chemical Property:

Vapor Pressure:0.0733mmHg at 25°C
Boiling Point:236.3°Cat760mmHg
Flash Point:90.9°C
PSA：0.00000
Density:0.866g/cm³
LogP:4.05430
XLogP3:5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:174.140850574
Heavy Atom Count:13
Complexity:183

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-methyl-

There total 4 articles about Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-methyl- 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: 45.0%

: 50390-49-3
2,2-dimethyl-1-(m-tolyl)propan-1-one

: 1779-49-3
Methyltriphenylphosphonium bromide

: 146558-42-1
1-(3,3-dimethylbut-1-en-2-yl)-3-methylbenzene

Guidance literature:: Methyltriphenylphosphonium bromide; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.5h; Inert atmosphere;

2,2-dimethyl-1-(m-tolyl)propan-1-one; In tetrahydrofuran; hexane; at 20 ℃; for 18h; Inert atmosphere;
DOI:10.1002/chem.201405361

Reference yield:

: 3,3-Dimethyl-2-m-tolyl-butan-2-ol

: 146558-42-1
1-(3,3-dimethylbut-1-en-2-yl)-3-methylbenzene

Guidance literature:: With aluminum oxide; at 275 ℃; for 1h; under 40 Torr;
DOI:10.1246/bcsj.72.581

Reference yield:

: 75-97-8
3,3-dimethyl-butan-2-one

: 146558-42-1
1-(3,3-dimethylbut-1-en-2-yl)-3-methylbenzene

Guidance literature:: Multi-step reaction with 2 steps

1.1: butyllithium / diethyl ether; hexane / 1 h / -40 - 20 °C

1.2: diethyl ether; hexane / -30 °C

2.1: activated alumina / 1 h / 275 °C / 40 Torr

With aluminum oxide; n-butyllithium; In diethyl ether; hexane; 1.1: Metallation / 1.2: Addition / 2.1: Dehydration;
DOI:10.1246/bcsj.72.581