4,4-Dimethyl-1-phenyl-pent-2-yn-1-one

Base Information

Chemical Name:4,4-Dimethyl-1-phenyl-pent-2-yn-1-one
CAS No.:17475-11-5
Molecular Formula:C13H14O
Molecular Weight:186.254
Hs Code.:2914399090
DSSTox Substance ID:DTXSID00467210
Nikkaji Number:J1.024.232K
Wikidata:Q82294022
Mol file:17475-11-5.mol

Synonyms:4,4-dimethyl-1-phenyl-pent-2-yn-1-one;17475-11-5;4,4-Dimethyl-1-phenylpent-2-yn-1-one;SCHEMBL24345105;DTXSID00467210;3,3-Dimethyl-1-butynylphenyl ketone;AKOS006330945

Suppliers and Price of 4,4-Dimethyl-1-phenyl-pent-2-yn-1-one

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

American Custom Chemicals Corporation
4,4-DIMETHYL-1-PHENYL-PENT-2-YN-1-ONE 95.00%
5MG
$ 497.20

Total 3 raw suppliers

Chemical Property of 4,4-Dimethyl-1-phenyl-pent-2-yn-1-one

Chemical Property:

PSA：17.07000
LogP:2.91880
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:186.104465066
Heavy Atom Count:14
Complexity:263

Purity/Quality:

99% ^*data from raw suppliers

4,4-DIMETHYL-1-PHENYL-PENT-2-YN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4,4-Dimethyl-1-phenyl-pent-2-yn-1-one

There total 24 articles about 4,4-Dimethyl-1-phenyl-pent-2-yn-1-one 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: 99.0%

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

: 98-88-4
benzoyl chloride

: 17475-11-5
1-phenyl-4,4-dimethylpent-2-yn-1-one

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere; Schlenk technique;
DOI:10.1021/jacs.1c07556

Reference yield: 94.0%

: 591-50-4
iodobenzene

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

: 201230-82-2
carbon monoxide

: 17475-11-5
1-phenyl-4,4-dimethylpent-2-yn-1-one

Guidance literature:: With dibromide(1-methyl-3-(2-methylpropyl)-5-phenyl-1H-imidazol-2-ylidene)pyridine palladium(II); triethylamine; In toluene; at 120 ℃; for 18h; under 10343.2 Torr; Autoclave;
DOI:10.1002/aoc.4280