1-Phenylbutan-2-amine

Base Information

• Chemical Name: 1-Phenylbutan-2-amine
• CAS No.: 30543-88-5
• Molecular Formula: C10H15N
• Molecular Weight: 149.236
• European Community (EC) Number: 849-775-4
• UNII: L76NRN6FL5
• DSSTox Substance ID: DTXSID50874112
• Nikkaji Number: J71.150K
• Wikipedia: Phenylisobutylamine
• Wikidata: Q15409350
• ChEMBL ID: CHEMBL21360
• Mol file: 30543-88-5.mol

Synonyms:2-amino-1-phenylbutane

Chemical Property of 1-Phenylbutan-2-amine

Chemical Property:

• Boiling Point: 194 °C(Press: 728 Torr)
• PKA: 10.00±0.10(Predicted)
• PSA: 26.02000
• Density: 0.936±0.06 g/cm3(Predicted)
• LogP: 2.66670
• XLogP3: 2.3
• 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:

98.5% ^*data from raw suppliers

1-Phenyl-2-butanamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Phenylbutan-2-amine

There total 16 articles about 1-Phenylbutan-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: 86.0%

→ 1-benzylpropylamine (30543-88-5)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Heating;

Reference yield: 52.0%

benzyl bromide (100-39-0) + Prop-(Z)-ylidene-trimethylsilanyl-amine (115524-70-4) → 1-benzylpropylamine (30543-88-5)

Guidance literature:

With lithium; In diethyl ether; Heating; sonication;

DOI:10.1021/jo971061r

Reference yield: 49.8%

C14H23NO2S (1130688-04-8) → 1-benzylpropylamine (30543-88-5)

Guidance literature:

With trifluorormethanesulfonic acid; methoxybenzene; In dichloromethane;

DOI:10.1039/b814413c

upstream raw materials:

benzyl ethyl ketone

1-phenyl-2-butanone oxime

2-Amino-1-phenyl-1-butanol

4-(2-amino-butyl)-aniline

Downstream raw materials:

N-(1-phenyl-2-butyl)-2,5-diphenylvaleramide

2-benzyl-2-ethyl-1,2,3,4-tetrahydroquinazolin-4-one

N-(1-Benzylpropyl)-2-(quinoline-8-sulfonylamino)-benzamide

(1-Benzyl-propyl)-(4-phenyl-4-phenylsulfanyl-butyl)-amine

Refernces

• 1、 Sakakibara, Ken,Nozaki, Kyoko. "Ring-opening reaction of Bus- and SES-protected aziridines using lithiated dithianes". experimental part. p. 502 - 507. Retrieved 2009/07/18.
• 2、 Gyenes, Ferenc,Bergmann, Kathryn E.,Welch, John T.. "Convenient Access to Primary Amines by Employing the Barbier-Type Reaction of N-(Trimethylsilyl)imines Derived from Aromatic and Aliphatic Aldehydes". . p. 2824 - 2828. Retrieved 2007/10/03.