4-(3,3-Dimethyl-1-butynyl)toluene

Base Information

Chemical Name:4-(3,3-Dimethyl-1-butynyl)toluene
CAS No.:79756-95-9
Molecular Formula:C13H16
Molecular Weight:172.27
Hs Code.:
DSSTox Substance ID:DTXSID20511729
Nikkaji Number:J980.558C
Wikidata:Q82370666

Synonyms:4-(3,3-Dimethyl-1-butynyl)toluene;79756-95-9;DTXSID20511729;IDKJVGZFDLCFKJ-UHFFFAOYSA-N;1-(3,3-Dimethylbut-1-yn-1-yl)-4-methylbenzene

Suppliers and Price of 4-(3,3-Dimethyl-1-butynyl)toluene

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 4-(3,3-Dimethyl-1-butynyl)toluene

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:172.125200510
Heavy Atom Count:13
Complexity:209

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 4-(3,3-Dimethyl-1-butynyl)toluene

There total 21 articles about 4-(3,3-Dimethyl-1-butynyl)toluene 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: 86.0%

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

: 624-31-7
4-tolyl iodide

: 79756-95-9
1-(3,3-dimethyl-1-butyn-1-yl)-4-methylbenzene

Guidance literature:: With copper(l) iodide; caesium carbonate; iron(III) acetylacetonate; at 140 ℃; for 18h;
DOI:10.1016/j.tetlet.2008.07.151

Reference yield: 85.0%

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

: 1576-35-8
toluene-4-sulfonic acid hydrazide

: 79756-95-9
1-(3,3-dimethyl-1-butyn-1-yl)-4-methylbenzene

Guidance literature:: With copper(II) acetate hydrate; 1,3-bis-(diphenylphosphino)propane; palladium diacetate; In N,N-dimethyl-formamide; at 100 ℃; for 0.5h; Schlenk technique; Inert atmosphere;
DOI:10.1021/acs.joc.7b00899

Reference yield: 76.0%

: 51350-44-8
1-((4 methylphenyl)diazenyl)morpholine

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

: 79756-95-9
1-(3,3-dimethyl-1-butyn-1-yl)-4-methylbenzene

Guidance literature:: 1-((4 methylphenyl)diazenyl)morpholine; With 1-butyl-3-methylimidazolium Tetrafluoroborate; scandium tris(trifluoromethanesulfonate); at 20 ℃;

3,3-Dimethylbut-1-yne; With copper(l) iodide; palladium diacetate; at 50 - 60 ℃; for 3.5h;
DOI:10.1002/ejoc.201901070