N,N-Bis(2-methylpropyl)pent-1-en-1-amine

Base Information

• Chemical Name: N,N-Bis(2-methylpropyl)pent-1-en-1-amine
• CAS No.: 42298-81-7
• Molecular Formula: C13H27N
• Molecular Weight: 197.364
• Hs Code.: 2921199090
• DSSTox Substance ID: DTXSID30695680
• Mol file: 42298-81-7.mol

Synonyms:N,N-Bis(2-methylpropyl)pent-1-en-1-amine;42298-81-7;DTXSID30695680;FT-0667181

Chemical Property of N,N-Bis(2-methylpropyl)pent-1-en-1-amine

Chemical Property:

• Boiling Point: 97-100°C@5mm Hg
• PSA: 3.24000
• LogP: 3.91420
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 197.214349865
• Heavy Atom Count: 14
• Complexity: 137

Purity/Quality:

97% ^*data from raw suppliers

1-(N,N-Diisobutylamino)-1-pentene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=CN(CC(C)C)CC(C)C
• Uses: An interesting synthetic intermediate.

Technology Process of N,N-Bis(2-methylpropyl)pent-1-en-1-amine

There total 2 articles about N,N-Bis(2-methylpropyl)pent-1-en-1-amine 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: 80.0%

diisobutylamine (110-96-3) + pentanal (110-62-3) → diisobutyl-pent-1-enyl-amine (42298-81-7)

Guidance literature:

With magnesium sulfate; at 0 - 15 ℃; for 1h; Neat (no solvent);

Reference yield:

n-butyl magnesium bromide (693-03-8) + N,N-bis(2-methylpropyl)formamide (2591-76-6) → diisobutyl-pent-1-enyl-amine (42298-81-7)

Guidance literature:

In tetrahydrofuran; diethyl ether;

DOI:10.1021/jo00957a044

Reference yield:

diisobutyl-pent-1-enyl-amine (42298-81-7) + methyl iodide (74-88-4) → 2-methylvaleraldehyde (123-15-9)

Guidance literature:

Multistep reaction; (i) benzene, (ii) aq. NaOAc, AcOH;

DOI:10.1021/jo00893a014

upstream raw materials:

n-butyl magnesium bromide

N,N-bis(2-methylpropyl)formamide

diisobutylamine

pentanal

Downstream raw materials:

2-ethylpentanal

2-methylvaleraldehyde

4-propyl-2-pyrrolidinone