3-Butyn-2-one, 4-(dimethylamino)-

Base Information

Chemical Name:3-Butyn-2-one, 4-(dimethylamino)-
CAS No.:20568-22-3
Molecular Formula:C6H9NO
Molecular Weight:111.144
Hs Code.:2922399090
DSSTox Substance ID:DTXSID10465323
Nikkaji Number:J1.084.118F
Wikidata:Q82291168
Mol file:20568-22-3.mol

Synonyms:3-Butyn-2-one, 4-(dimethylamino)-;20568-22-3;4-(DIMETHYLAMINO)BUT-3-YN-2-ONE;SCHEMBL11315645;DTXSID10465323;4-DIMETHYLAMINO-3-BUTYN-2-ONE;3-Butyn-2-one,4-(dimethylamino)-(8ci,9ci)

Suppliers and Price of 3-Butyn-2-one, 4-(dimethylamino)-

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 3 raw suppliers

Chemical Property of 3-Butyn-2-one, 4-(dimethylamino)-

Chemical Property:

PSA：20.31000
LogP:0.09790
XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:111.068413911
Heavy Atom Count:8
Complexity:146

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Butyn-2-one, 4-(dimethylamino)-

There total 3 articles about 3-Butyn-2-one, 4-(dimethylamino)- 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: 60.0%

: 26387-68-8
1-dimethylamino-2-bromo-1-buten-3-one

: 20568-22-3
4-(dimethylamino)but-3-yn-2-one

Guidance literature:: With potassium tert-butylate; In tetrahydrofuran; tert-butyl alcohol; at -5 - 0 ℃; for 1h;

Reference yield:

: 1190-91-6
4-dimethylamino-3-buten-2-one

: 20568-22-3
4-(dimethylamino)but-3-yn-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1) Br₂, 2) (C₂H₅)3N / 1) CH₂Cl₂, -10 to 15 deg C, 2) (C₂H₅)2O, -10 to 15 deg C, 1 h

2: 60 percent / (CH₃)3COK / tetrahydrofuran; 2-methyl-propan-2-ol / 1 h / -5 - 0 °C

With potassium tert-butylate; bromine; triethylamine; In tetrahydrofuran; tert-butyl alcohol;

Reference yield:

: 2802-08-6
(E)-4-(dimethylamino)but-3-en-2-one

: 20568-22-3
4-(dimethylamino)but-3-yn-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: (i) Br₂, (ii) Et₃N

2: KOtBu

With potassium tert-butylate;
DOI:10.1002/hlca.19690520845