Benzene, 1-bromo-2-(3,3-dimethyl-1-butynyl)-

Base Information

Chemical Name:Benzene, 1-bromo-2-(3,3-dimethyl-1-butynyl)-
CAS No.:197806-78-3
Molecular Formula:C12H13Br
Molecular Weight:237.139
Hs Code.:
DSSTox Substance ID:DTXSID30441109
Nikkaji Number:J969.133B
Wikidata:Q82257706

Synonyms:197806-78-3;Benzene, 1-bromo-2-(3,3-dimethyl-1-butynyl)-;DTXSID30441109;1-(3,3-Dimethyl-1-butynyl)-2-bromobenzene

Suppliers and Price of Benzene, 1-bromo-2-(3,3-dimethyl-1-butynyl)-

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 8 raw suppliers

Chemical Property of Benzene, 1-bromo-2-(3,3-dimethyl-1-butynyl)-

Chemical Property:

XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:236.02006
Heavy Atom Count:13
Complexity:223

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C#CC1=CC=CC=C1Br

Technology Process of Benzene, 1-bromo-2-(3,3-dimethyl-1-butynyl)-

There total 1 articles about Benzene, 1-bromo-2-(3,3-dimethyl-1-butynyl)- 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: 85.0%

: 917-92-0
3,3-Dimethylbut-1-yne

: 583-55-1
1-Bromo-2-iodobenzene

: 197806-78-3
1-bromo-2-(3,3-dimethylbut-1-yn-1-yl)benzene

Guidance literature:: 1-Bromo-2-iodobenzene; With bis-triphenylphosphine-palladium(II) chloride; triethylamine; for 0.166667h; Inert atmosphere;

3,3-Dimethylbut-1-yne; With copper(l) iodide; at 20 ℃; Inert atmosphere;
DOI:10.1002/chem.201605914

Reference yield: 90.0%

: 111-36-4
n-butyl isocyanide

: 197806-78-3
1-bromo-2-(3,3-dimethylbut-1-yn-1-yl)benzene

: N-butyl-2-(3,3-dimethyl-but-1-ynyl)-benzamide

Guidance literature:: 1-bromo-2-(3,3-dimethylbut-1-yn-1-yl)benzene; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -80 ℃; for 1h;

n-butyl isocyanide; In tetrahydrofuran; pentane; at 20 ℃; for 12h;
DOI:10.1055/s-1999-3522

Reference yield: 89.0%

: 420-37-1
trimethoxonium tetrafluoroborate

: 199620-14-9,13007-92-6
chromium⁽⁰⁾ hexacarbonyl

: 197806-78-3
1-bromo-2-(3,3-dimethylbut-1-yn-1-yl)benzene

: 197806-74-9
pentacarbonyl[methoxy(2-(3,3'-dimethylbutyn-1'-yl)phenyl)carbene]chromium⁽⁰⁾

Guidance literature:: With n-BuLi; In diethyl ether; hexane; dichloromethane; Ar-atmosphere; dropwise addn. of BuLi (in hexane) to alkyne (in Et2O) at0°C, stirring for 1 h, addn. of equimolar amt. of Cr-complex, wa rming to room temp., evapn., dissoln. in CH2Cl2, addn. of equimolar amt.of borate, stirring for 1-2 h; solvent removal, chromy. (SiO2, -10°C, hexane or petroleum ether/Et2O=8:1); elem. anal.;
DOI:10.1016/S0022-328X(97)00072-7