3-Methyl-1-phenylbutan-1-amine

Base Information

• Chemical Name: 3-Methyl-1-phenylbutan-1-amine
• CAS No.: 42290-97-1
• Molecular Formula: C11H17 N
• Molecular Weight: 163.263
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID00406947
• Mol file: 42290-97-1.mol

Synonyms:3-methyl-1-phenylbutan-1-amine;42290-97-1;3-Methyl-1-phenylbutylamine;3-METHYL-1-PHENYL-BUTYLAMINE;SCHEMBL5914545;3-Methyl-1-phenylbutylamine HCl;DTXSID00406947;ZTLDKBMTEANJRD-UHFFFAOYSA-N;HMS1748L06;MFCD06385605;AKOS000122975;AKOS016842310;SB76468;NCGC00322369-01;612499-42-0;AM20050046;CS-0154248;EN300-12272;Y11320;AB01106507-03;A872914;J-512833;Z85929891

Chemical Property of 3-Methyl-1-phenylbutan-1-amine

Chemical Property:

• Vapor Pressure: 0.0455mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 237.2°Cat760mmHg
• Flash Point: 99.5°C
• PSA: 26.02000
• Density: 0.924g/cm³
• LogP: 3.43280
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 114

Purity/Quality:

98%min ^*data from raw suppliers

3-methyl-1-phenylbutan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C1=CC=CC=C1)N

Technology Process of 3-Methyl-1-phenylbutan-1-amine

There total 7 articles about 3-Methyl-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: 76.0%

(1-azido-3-methylbutyl)benzene → 3-methyl-1-phenylbutan-1-amine (42290-97-1,1173110-86-5)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; water; at 20 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1039/c7ob02598j

Reference yield: 60.0%

3-methyl-1-phenylbutan-1-one (582-62-7) → 3-methyl-1-phenylbutan-1-amine (42290-97-1,1173110-86-5)

Guidance literature:

3-methyl-1-phenylbutan-1-one; With ammonium acetate; sodium cyanoborohydride; In methanol; at 20 ℃; for 72h; Molecular sieve; Inert atmosphere;

With hydrogenchloride; In methanol; water;

With sodium hydroxide; In water;

DOI:10.1016/j.bmc.2009.11.023

Reference yield:

(tert-Butyl-dimethyl-silanyl)-[3-methyl-1-phenyl-but-(E)-ylidene]-amine → 3-methyl-1-phenylbutan-1-amine (42290-97-1,1173110-86-5)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 25 ℃; Yield given;

DOI:10.1080/00397919808004967

upstream raw materials:

3-methyl-1-phenylbutan-1-one

benzonitrile

styrene

Downstream raw materials:

benzylidene-(3-methyl-1-phenyl-butyl)-amine

N-(1-phenyl-3-methylbutyl)-1,2-diphenyl-2-aminoethanol

(1R,2R)-2-((S)-3-Methyl-1-phenyl-butylamino)-1,2-diphenyl-ethanol

2-[(E)-3-Methyl-1-phenyl-butylimino]-1,2-diphenyl-ethanone

Refernces

• 1、 Asada, Masaki,Obitsu, Tetsuo,Nagase, Toshihiko,Tanaka, Motoyuki,Yamaura, Yoshiyuki,Takizawa, Hiroya,Yoshikawa, Ken,Sato, Kazutoyo,Narita, Masami,Ohuchida, Shuichi,Nakai, Hisao,Toda, Masaaki. "3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. Part 1: Discovery and exploration of the carboxyamide side chain". experimental part. p. 80 - 90. Retrieved 2010/04/05.