N-Benzylheptan-2-amine

Base Information

• Chemical Name: N-Benzylheptan-2-amine
• CAS No.: 92330-46-6
• Molecular Formula: C14H23N
• Molecular Weight: 205.343
• DSSTox Substance ID: DTXSID40565486
• Nikkaji Number: J1.723.122G
• Mol file: 92330-46-6.mol

Synonyms:N-Benzylheptan-2-amine;92330-46-6;2-benzylamino-2-desoxy-hepton;SCHEMBL2454752;DTXSID40565486;AKOS008991465

Chemical Property of N-Benzylheptan-2-amine

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 205.183049738
• Heavy Atom Count: 15
• Complexity: 138

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)NCC1=CC=CC=C1

Technology Process of N-Benzylheptan-2-amine

There total 6 articles about N-Benzylheptan-2-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%

n-pentyl methyl ketone (110-43-0) + benzylamine (100-46-9) → N-benzyl-(1-methyl)hexylamine (92330-46-6)

Guidance literature:

With borohydride exchange resin; triethylamine hydrochloride; In ethanol; for 3h; Ambient temperature;

DOI:10.1080/00397919308011255

Reference yield: 78.0%

benzonitrile (100-47-0) + 2-heptylamine (123-82-0) → N-benzyl-(1-methyl)hexylamine (92330-46-6)

Guidance literature:

With dimethylamine borane; (9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene)dichlorocobalt(II); at 27 ℃; for 16h; Glovebox; Inert atmosphere;

DOI:10.1002/adsc.201900586

Reference yield: 75.0%

n-pentyl methyl ketone (110-43-0) + benzylamine borane → N-benzyl-(1-methyl)hexylamine (92330-46-6)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1081/SCC-120002129

upstream raw materials:

benzaldehyde

2-heptylamine

n-pentyl methyl ketone

benzylamine

Downstream raw materials:

(S)-2-heptylamine

(R)-2-heptylamine