3-Phenylbutylamine

Base Information

• Chemical Name: 3-Phenylbutylamine
• CAS No.: 38135-56-7
• Molecular Formula: C10H15N
• Molecular Weight: 149.23
• Hs Code.: 2921499090
• European Community (EC) Number: 253-800-9
• DSSTox Substance ID: DTXSID50959074
• Nikkaji Number: J294.600I
• Mol file: 38135-56-7.mol

Synonyms:3-phenylbutan-1-amine;3-Phenylbutylamine;38135-56-7;3-phenyl-1-butylamine;(3-phenylbutyl)amine;3-Phenyl-butylamine;EINECS 253-800-9;MFCD07786703;SCHEMBL1281;3-Bromobenzylsulphonylchloride;DTXSID50959074;gamma-Methylbenzenepropan-1-amine;HJMCIHLESAJJQL-UHFFFAOYSA-N;AC6042;AKOS000506100;AKOS016051245;AS-57503;SY035468;CS-0168549;EN300-62250;A873919

Chemical Property of 3-Phenylbutylamine

Chemical Property:

• Vapor Pressure: 0.0938mmHg at 25°C
• Boiling Point: 223.9°C at 760 mmHg
• PKA: 10.32±0.13(Predicted)
• Flash Point: 93.8°C
• PSA: 26.02000
• Density: 0.934g/cm³
• LogP: 2.83920
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 95

Purity/Quality:

97% ^*data from raw suppliers

g-Methylbenzenepropanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCN)C1=CC=CC=C1

Technology Process of 3-Phenylbutylamine

There total 12 articles about 3-Phenylbutylamine 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: 91.0%

3-Phenylbutyraldehyde (16251-77-7) → (3-phenyl-n-butyl)-amine (38135-56-7,54646-14-9)

Guidance literature:

With N,N'-bis(salicylidene)-1,2-phenylene-diaminocobalt(II); ammonia; hydrogen; In tetrahydrofuran; water; at 120 ℃; for 24h; Autoclave;

DOI:10.1039/c9sc04963k

Reference yield:

3-phenylbut-2-enoic acid (704-79-0,704-80-3,1199-20-8) → (3-phenyl-n-butyl)-amine (38135-56-7,54646-14-9)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Pd-C

2: (i) ClCO₂Et, Et₃N, (ii) NH₃

3: LiAlH₄ / diethyl ether / Heating

With lithium aluminium tetrahydride; hydrogen; palladium on activated charcoal; In diethyl ether;

DOI:10.1021/ja01495a024

Reference yield:

3-phenyl-2-buten-1-amine hydrochloride (114536-89-9) → (3-phenyl-n-butyl)-amine (38135-56-7,54646-14-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 24h; under 6000.5 Torr;

DOI:10.1016/0223-5234(92)90145-Q

upstream raw materials:

3-phenyl-butyronitrile

3-phenyl-2-buten-1-amine

3-phenyl-2-buten-1-amine hydrochloride

3-phenylbutanonamide

Downstream raw materials:

3-Phenylbutyraldehyde

1-cyano-2-phenyl-3-(3-phenylbutyl)isourea

N-[3-(1H-Imidazol-4-yl)-propyl]-N'-(3-phenyl-butyl)-guanidine; hydrochloride

N-Benzoyl-N'-[3-(1H-imidazol-4-yl)-propyl]-N''-(3-phenyl-butyl)-guanidine