4-Penten-2-yn-1-amine, N,N-dibutyl-

Base Information

• Chemical Name: 4-Penten-2-yn-1-amine, N,N-dibutyl-
• CAS No.: 137345-27-8
• Molecular Formula: C13H23N
• Molecular Weight: 193.332
• DSSTox Substance ID: DTXSID40472661
• Wikidata: Q82301695
• Mol file: 137345-27-8.mol

Synonyms:4-Penten-2-yn-1-amine, N,N-dibutyl-;137345-27-8;dibutyl(4-penten-2-ynyl)amine;DTXSID40472661

Chemical Property of 4-Penten-2-yn-1-amine, N,N-dibutyl-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 193.183049738
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC)CC#CC=C

Technology Process of 4-Penten-2-yn-1-amine, N,N-dibutyl-

There total 1 articles about 4-Penten-2-yn-1-amine, N,N-dibutyl- 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: 14.0%

sodium methylate (124-41-4) + dibutyl-methoxycarbonylmethyl-pent-4-en-2-ynyl-ammonium; bromide → butyraldehyde (123-72-8) + N,N-dibutyl(4-penten-2-ynyl)amine (137345-27-8) + methyl 3-ethyl-2-oxo-3-pentenoate + methyl 2-butylamino-3-vinyl-3-pentenoate

Guidance literature:

sodium methylate; dibutyl-methoxycarbonylmethyl-pent-4-en-2-ynyl-ammonium; bromide; In diethyl ether; for 0.333333h; Heating;

With water; In diethyl ether; Further byproducts given;

DOI:10.1023/A:1012311824435

Reference yield: 85.0%

N,N-dibutyl(4-penten-2-ynyl)amine (137345-27-8) → N-butyl(2,3,4,5-tetrabromo-2-pentenyl)amine hydrobromide + butyraldehyde (123-72-8)

Guidance literature:

N,N-dibutyl(4-penten-2-ynyl)amine; With hydrogen bromide; bromine; In water;

With acetone;

upstream raw materials:

sodium methylate

Downstream raw materials:

butyraldehyde