1-Bromo-6,6-dimethyl-2-ene-4-yne-heptane

Base Information

Chemical Name:1-Bromo-6,6-dimethyl-2-ene-4-yne-heptane
CAS No.:78629-19-3
Molecular Formula:C9H13 Br
Molecular Weight:201.106
Hs Code.:
DSSTox Substance ID:DTXSID301274784
Mol file:78629-19-3.mol

Synonyms:78629-19-3;1-BROMO-6,6-DIMETHYL-2-ENE-4-YNE-HEPTANE;(Z)-1-Bromo-6,6-dimethylhept-2-en-4-yne;2-Hepten-4-yne,1-bromo-6,6-dimethyl-, (2Z)-;starbld0018770;SCHEMBL9633566;DTXSID301274784;(2Z)-1-Bromo-6,6-dimethyl-2-hepten-4-yne

Suppliers and Price of 1-Bromo-6,6-dimethyl-2-ene-4-yne-heptane

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 13 raw suppliers

Chemical Property of 1-Bromo-6,6-dimethyl-2-ene-4-yne-heptane

Chemical Property:

Refractive Index:1.503
PSA：0.00000
LogP:2.98700
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:200.02006
Heavy Atom Count:10
Complexity:170

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#CC=CCBr
Isomeric SMILES:CC(C)(C)C#C/C=C\CBr

Technology Process of 1-Bromo-6,6-dimethyl-2-ene-4-yne-heptane

There total 2 articles about 1-Bromo-6,6-dimethyl-2-ene-4-yne-heptane 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:

: 78629-20-6
3-hydroxy-6,6-dimethylhept-1-ene-4-yne

: 78629-19-3
cis-1-bromo-6,6-dimethyl-2-hepten-4-yne

: 78629-21-7
(E)-6,6-dimethyl-2-hepten-4-ynyl bromide

Guidance literature:: With hydrogen bromide; phosphorus tribromide; In ethanol; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1021/jm00378a003

Reference yield:

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

: 78629-19-3
cis-1-bromo-6,6-dimethyl-2-hepten-4-yne

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) n-BuLi / 1.) THF, hexane, -15 to -20 deg C, 2.) THF, hexane, RT, overnight

2: aq. HBr, PBr₃ / ethanol

With n-butyllithium; hydrogen bromide; phosphorus tribromide; In ethanol;
DOI:10.1021/jm00378a003