1-Phenylbutan-1-amine

Base Information

• Chemical Name: 1-Phenylbutan-1-amine
• CAS No.: 2941-19-7
• Molecular Formula: C10H15 N
• Molecular Weight: 149.236
• Hs Code.: 2921499090
• European Community (EC) Number: 804-845-3
• DSSTox Substance ID: DTXSID00394072
• Nikkaji Number: J80.594G
• ChEMBL ID: CHEMBL22934
• Mol file: 2941-19-7.mol

Synonyms:1-phenylbutan-1-amine;2941-19-7;1-Phenyl-butylamine;(1-PHENYLBUTYL)AMINE;1-phenylbutylamine;1-phenyl-1-butanamine;CHEMBL22934;Benzenemethanamine, a-propyl-;phenylbutanamine;1-phenylbutyl amine;1-(phenyl)-butylamine;SCHEMBL44326;(1-PHENYLBUTYL)AMINE HCL;DTXSID00394072;XHOXKVFLASIOJD-UHFFFAOYSA-N;BDBM50028646;MFCD06379300;AKOS000201119;AKOS017269866;AB85905;CS-0308438;FT-0635020;FT-0657889;FT-0695201;EN300-12016;N12265;A800903

Chemical Property of 1-Phenylbutan-1-amine

Chemical Property:

• Vapor Pressure: 0.0455mmHg at 25°C
• Melting Point: 143°C (estimate)
• Refractive Index: 1.514
• Boiling Point: 223.9°Cat760mmHg
• Flash Point: 93.8°C
• PSA: 26.02000
• Density: 0.934g/cm³
• LogP: 3.18680
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 2.1
• 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%Min ^*data from raw suppliers

1-Phenylbutan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C1=CC=CC=C1)N
• Uses: 1-Phenylbutan-1-amine is a useful compound for the preparation of primary amines and their hydrochloride salts.

Technology Process of 1-Phenylbutan-1-amine

There total 44 articles about 1-Phenylbutan-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: 98.0%

C14H23NOS (1315613-42-3) → (R)-1-phenylbutylamine (2941-19-7,3789-60-4,6150-01-2,62311-56-2)

Guidance literature:

With hydrogenchloride; In methanol; diethyl ether; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.15227/orgsyn.090.0338

Reference yield: 94.0%

C14H21NOS → (R)-1-phenylbutylamine (2941-19-7,3789-60-4,6150-01-2,62311-56-2)

Guidance literature:

C₁₄H₂₁NOS; With [RhCl₂(p-cymene)]2; potassium tert-butylate; 2-Amino-2-methyl-1-propanol; isopropyl alcohol; at 50 ℃; for 0.5h; Inert atmosphere; Microwave irradiation; Molecular sieve;

With hydrogenchloride; In methanol; at 20 ℃; enantioselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.201402884

Reference yield: 86.0%

1-phenyl-butylamine (2941-19-7) → (S)-1-amino-1-phenylbutane (3789-60-4) + (R)-1-phenylbutylamine (2941-19-7,3789-60-4,6150-01-2,62311-56-2)

Guidance literature:

With pyridoxal 5'-phosphate; Glyoxilic acid; In aq. phosphate buffer; at 37 ℃; for 30h; pH=7; enantioselective reaction; Resolution of racemate; Enzymatic reaction;

DOI:10.1002/adsc.201500239

upstream raw materials:

n-butyrophenone oxime

N-(1-phenyl-butyl)-formamide

formamide

propiophenone

Downstream raw materials:

(R)-1-phenylethanol

(R)-1-phenylbutylamine

propiophenone

(S)-1-amino-1-phenylbutane