N-(2-phenylethyl)pentan-1-amine

Base Information

• Chemical Name: N-(2-phenylethyl)pentan-1-amine
• CAS No.: 80377-02-2
• Molecular Formula: C13H21N
• Molecular Weight: 191.316
• ChEMBL ID: CHEMBL20355
• DSSTox Substance ID: DTXSID90512829
• Nikkaji Number: J587.680J
• Pharos Ligand ID: XMYXK9HWAJZT
• Wikidata: Q82372243
• Mol file: 80377-02-2.mol

Synonyms:N-(2-phenylethyl)pentan-1-amine;80377-02-2;Pentyl-phenethyl-amine;CHEMBL20355;SCHEMBL2934215;DTXSID90512829;PENTYL(2-PHENYLETHYL)AMINE;BDBM50041239;AKOS000231604;CCG-356536;A1-05240

Chemical Property of N-(2-phenylethyl)pentan-1-amine

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 191.167399674
• Heavy Atom Count: 14
• Complexity: 116

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCNCCC1=CC=CC=C1

Technology Process of N-(2-phenylethyl)pentan-1-amine

There total 13 articles about N-(2-phenylethyl)pentan-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: 90.0%

2-nitro-N-pentyl-N-phenethyl-benzenesulfonamide (851219-30-2) → N-phenethylpentan-1-amine (80377-02-2)

Guidance literature:

With potassium carbonate; thiophenol; In acetonitrile; at 50 ℃;

DOI:10.1039/b418168a

Reference yield: 68.0%

phenylacetonitrile (140-29-4) + n-Pentylamine (110-58-7) → N-phenethylpentan-1-amine (80377-02-2)

Guidance literature:

With borane-ammonia complex; C₁₆H₂₉Cl₂CoN₂P; at 25 ℃; for 13h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201608345

Reference yield: 68.0%

→ N-phenethylpentan-1-amine (80377-02-2)

Guidance literature:

With borane-ammonia complex; C₁₆H₂₉Cl₂CoN₂P; at 25 ℃; for 13h; Inert atmosphere; Schlenk technique;

upstream raw materials:

phenylacetonitrile

n-Pentylamine

pentanonitrile

phenethylamine

Downstream raw materials:

pentyl-diphenethyl-amine

3-Oxo-cyclohex-1-enecarboxylic acid pentyl-phenethyl-amide

methyl 5-(3,4-dichlorophenylthio)-4-(N-pentyl-N-phenethylcarbamoyl)pentanoate

Refernces

• 1、 -. "Cobalt complex, preparation method thereof, and application thereof in selective catalysis of transfer hydrogenation reaction of cyano group". Paragraph 0173-0175; 0177. . Retrieved 2018/05/07.
• 2、 Lu, Shuanglong,Wang, Jiaqing,Cao, Xueqin,Li, Xinming,Gu, Hongwei. "Selective synthesis of secondary amines from nitriles using Pt nanowires as a catalyst". supporting information. p. 3512 - 3515. Retrieved 2014/03/21.