1-Phenyl-2-aminopentane

Base Information

• Chemical Name: 1-Phenyl-2-aminopentane
• CAS No.: 63951-01-9
• Molecular Formula: C11H17 N
• Molecular Weight: 163.263
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID80874246
• Nikkaji Number: J79.061C
• ChEMBL ID: CHEMBL25435
• Mol file: 63951-01-9.mol

Synonyms:1-phenylpentan-2-amine;1-Phenyl-2-aminopentane;63951-01-9;1-Phenyl-2-amino-pentan;1-Benzyl-butylamine;CHEMBL25435;Phenethylamine, alpha-propyl-;alpha-Phenyl-beta-aminopentane;1-Phenyl-2-amino-pentan [German];1-Fenylo-3-etylo-aminopropan [Polish];1-Fenylo-3-etylo-aminopropan;1-benzyl-butyl-amine;SCHEMBL3401432;DTXSID80874246;A-PROPYL BENZENEETHANEAMINE;BDBM50028642;AKOS010037855;EN300-66651;Z513795750

Chemical Property of 1-Phenyl-2-aminopentane

Chemical Property:

• Vapor Pressure: 0.0251mmHg at 25°C
• Boiling Point: 247.9°C at 760 mmHg
• PKA: 10.91±0.35(Predicted)
• Flash Point: 104°C
• PSA: 26.02000
• Density: 0.928g/cm³
• LogP: 3.05680
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 106

Purity/Quality:

1-Phenylpentan-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CC1=CC=CC=C1)N

Technology Process of 1-Phenyl-2-aminopentane

There total 13 articles about 1-Phenyl-2-aminopentane 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: 57.0%

1-phenyl-2-nitro-1-pentene (1205-53-4) → RS-(+/-)-1-phenyl-2-aminopentane (63951-01-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 18h; Inert atmosphere; Reflux;

DOI:10.1021/ml500113s

Reference yield:

Benzhydryl-[1-benzyl-but-(E)-ylidene]-amine → RS-(+/-)-1-phenyl-2-aminopentane (63951-01-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; at 25 ℃; for 72h; under 760.051 Torr;

DOI:10.1021/ol006011e

Reference yield:

1-phenyl-1-pentyne (4250-81-1) → RS-(+/-)-1-phenyl-2-aminopentane (63951-01-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Cp₂TiMe₂ / toluene / 72 h / 110 °C

2: 230 mg / H₂ / Pd/C / tetrahydrofuran / 72 h / 25 °C / 760.05 Torr

With hydrogen; palladium on activated charcoal; dimethyltitanocene; In tetrahydrofuran; toluene; 1: Addition / 2: Catalytic hydrogenation;

DOI:10.1021/ol006011e

upstream raw materials:

1-phenyl-pentan-2-one oxime

4-(2-amino-pentyl)-aniline

2-Formamino-1-phenyl-pentan

1-phenyl-2-nitro-1-pentene

Downstream raw materials:

N-(1-benzyl-butyl)-benzamide

(+/-)-N-(methoxycarbonyl)-1-phenyl-2-aminopentane

N-propyl-1-phenyl-2-pentylamine

1-(1-Benzyl-butyl)-4-hydroxypyrrolidin-2-on

Refernces

• 1、 Grunewald, Gary L.,Romero, F. Anthony,Chieu, Alex D.,Fincham, Kelcie J.,Bhat, Seema R.,Criscione, Kevin R.. "Exploring the active site of phenylethanolamine N-methyltransferase: 3-alkyl-7-substituted-1,2,3,4-tetrahydroisoquinoline inhibitors". . p. 1261 - 1273. Retrieved 2007/10/03.
• 2、 Haak, Edgar,Siebeneicher, Holger,Doye, Sven. "An ammonia equivalent for the dimethyltitanocene-catalyzed intermolecular hydroamination of alkynes". . p. 1935 - 1937. Retrieved 2007/10/03.