3-(1-Aminoethyl)aniline

Base Information

• Chemical Name: 3-(1-Aminoethyl)aniline
• CAS No.: 129725-48-0
• Molecular Formula: C8H12N2
• Molecular Weight: 136.20
• Hs Code.: 2921590090
• European Community (EC) Number: 687-154-8
• DSSTox Substance ID: DTXSID40378053
• Mol file: 129725-48-0.mol

Synonyms:3-(1-aminoethyl)aniline;129725-48-0;3-(1-AMINO-ETHYL)-PHENYLAMINE;3-(1-Aminoethyl)benzenamine;Benzenemethanamine, 3-amino-alpha-methyl-;SCHEMBL2023304;DTXSID40378053;3-(1-Aminoethyl)aniline, 95%;MFCD06245432;AKOS005257337;AB29091;CS-0370445;FT-0652875;FT-0746042;EN300-701382

Chemical Property of 3-(1-Aminoethyl)aniline

Chemical Property:

• Vapor Pressure: 0.00863mmHg at 25°C
• Melting Point: 51-56°C
• Refractive Index: 1.59
• Boiling Point: 266.5 °C at 760 mmHg
• Flash Point: 135.2 °C
• PSA: 52.04000
• Density: 1.056 g/cm³
• LogP: 2.57000
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.100048391
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

98% ^*data from raw suppliers

3-(1-Aminoethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(1-Aminoethyl)aniline

There total 2 articles about 3-(1-Aminoethyl)aniline 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: 94.0%

m-nitroacetophenone oxime (7471-32-1) → α-(3-aminophenyl)ethylamine (129725-48-0,1202057-39-3)

Guidance literature:

With sodium tetrahydroborate; at 20 ℃; for 0.0333333h; neat (no solvent, solid phase);

DOI:10.5012/bkcs.2011.32.9.3448

Reference yield:

1-(3-aminophenyl)ethanone oxime (6011-18-3) → α-(3-aminophenyl)ethylamine (129725-48-0,1202057-39-3)

Guidance literature:

With ammonium hydroxide; hydrogen; nickel; In ethanol; for 48h; under 2585.81 Torr;

DOI:10.1016/j.bmc.2009.03.041

Reference yield: 80.5%

α-(3-aminophenyl)ethylamine (129725-48-0,1202057-39-3) + α-(2-aminophenyl) butylamine (133332-60-2) → α-(aminocyclohexyl)butylamine

Guidance literature:

upstream raw materials:

1-(3-aminophenyl)ethanone oxime

m-nitroacetophenone oxime

Downstream raw materials:

C₂₇H₂₉N₉

(RS)-3-(1-aminoethyl)-N-(tert-butoxycarbonyl)phenylamine

3-{[1-(3-aminophenyl)ethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Refernces

• 1、 Lovering, Frank,Kirincich, Steve,Wang, Weiheng,Combs, Kerry,Resnick, Lynn,Sabalski, Joan E.,Butera, John,Liu, Julie,Parris, Kevin,Telliez. "Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2)". experimental part. p. 3342 - 3351. Retrieved 2009/09/08.