N-Benzylpent-4-en-1-amine

Base Information

• Chemical Name: N-Benzylpent-4-en-1-amine
• CAS No.: 54436-58-7
• Molecular Formula: C12H17N
• Molecular Weight: 175.274
• DSSTox Substance ID: DTXSID20397146
• Nikkaji Number: J1.219.554K
• Wikidata: Q82198234
• Mol file: 54436-58-7.mol

Synonyms:N-Benzylpent-4-en-1-amine;54436-58-7;5-benzylamino-1-pentene;Benzyl-pent-4-enyl-amine;N-Benzyl-4-pentene-1-amine;SCHEMBL3288068;DTXSID20397146;LSIHVRMYKSMLRY-UHFFFAOYSA-N;AKOS013638054

Chemical Property of N-Benzylpent-4-en-1-amine

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 125

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCNCC1=CC=CC=C1

Technology Process of N-Benzylpent-4-en-1-amine

There total 19 articles about N-Benzylpent-4-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: 93.0%

bromopentene (1119-51-3) + benzylamine (100-46-9) → N-benzylpent-4-en-1-amine (54436-58-7)

Guidance literature:

In acetonitrile; for 16h; Reflux;

DOI:10.1002/chem.202102354

Reference yield: 92.0%

pent-4-enoic acid benzylamide (58170-50-6) → N-benzylpent-4-en-1-amine (54436-58-7)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; toluene; a) room temperature, 1 h, b) 50 deg C, 90 min;

DOI:10.1021/jo00052a015

Reference yield: 90.3%

n-Pent-4-enyl alcohol (821-09-0) + benzylamine (100-46-9) → N-benzylpent-4-en-1-amine (54436-58-7)

Guidance literature:

With trimethylamine-N-oxide; tricarbonyl(η⁴-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; In 5,5-dimethyl-1,3-cyclohexadiene; at 140 ℃; for 16h; Sealed tube;

DOI:10.1021/acs.joc.7b01990

upstream raw materials:

pent-4-enoic acid benzylamide

bromopentene

benzylamine

(S)-N-benzylprolinol

Downstream raw materials:

4-Phenyl-2-methoxycarbonyl-4-enoic acid methyl ester

N-(1-Phenyl-pent-1-en-5-yl)benzylamine

1-benzyl-3-methylpiperidine

1-benzylazepane