1-Bromo-4,4-dimethylpent-2-yne

Base Information

Chemical Name:1-Bromo-4,4-dimethylpent-2-yne
CAS No.:52323-99-6
Molecular Formula:C7H11Br
Molecular Weight:175.06600
Hs Code.:
DSSTox Substance ID:DTXSID80500311
Nikkaji Number:J1.177.484I
Wikidata:Q82351799
Mol file:52323-99-6.mol

Synonyms:1-bromo-4,4-dimethylpent-2-yne;52323-99-6;SCHEMBL2508494;DTXSID80500311;JITGHFUVPLJRBF-UHFFFAOYSA-N;1-bromo-4,4-dimethyl-pent-2-yne

Suppliers and Price of 1-Bromo-4,4-dimethylpent-2-yne

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 2 raw suppliers

Chemical Property of 1-Bromo-4,4-dimethylpent-2-yne

Chemical Property:

Boiling Point:164.7±23.0 °C(Predicted)
PSA：0.00000
Density:1.245±0.06 g/cm3(Predicted)
LogP:2.43080
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:174.00441
Heavy Atom Count:8
Complexity:116

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C#CCBr

Technology Process of 1-Bromo-4,4-dimethylpent-2-yne

There total 3 articles about 1-Bromo-4,4-dimethylpent-2-yne 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: 91.0%

: 52323-98-5
4,4-dimethylpent-2-yn-1-ol

: 52323-99-6
1-bromo-4,4-dimethyl-2-pentyne

Guidance literature:: With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 0 ℃; for 2.5h;
DOI:10.1002/anie.201206826

Reference yield:

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

: 52323-99-6
1-bromo-4,4-dimethyl-2-pentyne

Guidance literature:: Multi-step reaction with 2 steps

1: BuLi

2: Br₂; PPh₃

With n-butyllithium; bromine; triphenylphosphine; 1: Metallation / 1: Addition / 2: Bromination;
DOI:10.1021/ja993766b

Reference yield:

: 104480-60-6
(3,3-dimethylbut-1-yn-1-yl)magnesium bromide

: 52323-99-6
1-bromo-4,4-dimethyl-2-pentyne

Guidance literature:: Multi-step reaction with 2 steps

1: diethyl ether

2: pyridine; diethyl ether; PBr₃ / anfaenglich unter Kuehlung, dann bei 40-50grad

With pyridine; diethyl ether; phosphorus tribromide;