N-Methyl-N-(3,4,4-trichlorobut-3-en-1-yn-1-yl)aniline

Base Information

Chemical Name:N-Methyl-N-(3,4,4-trichlorobut-3-en-1-yn-1-yl)aniline
CAS No.:82505-76-8
Molecular Formula:C₁₁H₈Cl₃N
Molecular Weight:260.55
Hs Code.:
DSSTox Substance ID:DTXSID70512887

Synonyms:82505-76-8;DTXSID70512887;N-Methyl-N-(3,4,4-trichlorobut-3-en-1-yn-1-yl)aniline

Suppliers and Price of N-Methyl-N-(3,4,4-trichlorobut-3-en-1-yn-1-yl)aniline

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 1 raw suppliers

Chemical Property of N-Methyl-N-(3,4,4-trichlorobut-3-en-1-yn-1-yl)aniline

Chemical Property:

XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:258.972232
Heavy Atom Count:15
Complexity:300

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN(C#CC(=C(Cl)Cl)Cl)C1=CC=CC=C1

Technology Process of N-Methyl-N-(3,4,4-trichlorobut-3-en-1-yn-1-yl)aniline

There total 2 articles about N-Methyl-N-(3,4,4-trichlorobut-3-en-1-yn-1-yl)aniline 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: 66.0%

: 5658-91-3
1,1,2,4-tetrachloro-1-buten-3-yne

: 35954-01-9
lithium N-methylanilide

: 82505-76-8
(3,4,4-Trichloro-N-methyl-N-phenyl-3-buten-1-inyl)amin

Guidance literature:

Reference yield:

: 5658-91-3
1,1,2,4-tetrachloro-1-buten-3-yne

: 100-61-8
N-methylaniline

: 82505-76-8
(3,4,4-Trichloro-N-methyl-N-phenyl-3-buten-1-inyl)amin

Guidance literature:: With n-butyllithium; Yield given. Multistep reaction; 1) THF, hexane, 10 min, -50 deg C; 1 h, RT; 2) THF, hexane, Et₂O, 45 min, -40 deg C; 1 h, RT;
DOI:10.1002/hlca.19880710810