4-Aminobenzylamine

Base Information

• Chemical Name: 4-Aminobenzylamine
• CAS No.: 4403-71-8
• Molecular Formula: C7H10N2
• Molecular Weight: 122.17
• Hs Code.: 29215990
• European Community (EC) Number: 610-164-0
• DSSTox Substance ID: DTXSID30330206
• Nikkaji Number: J80.821K
• Wikidata: Q27455357
• ChEMBL ID: CHEMBL148476
• Mol file: 4403-71-8.mol

Synonyms:4-Aminobenzylamine;4-(Aminomethyl)aniline;4403-71-8;p-Aminobenzylamine;Benzenemethanamine, 4-amino-;4-Aminomethyl-phenylamine;CHEMBL148476;4-Amonobenzylae;(4-aminobenzyl)amine dihydrochloride;p-Aminobenzylamin;4-amino benzylamine;4-amino-benzylamine;4-aminobenzyl amine;4-aminomethyl-aniline;4-aminomethylphenylamine;alpha-Amino-p-toluidine;4-aminobenzenemethanamine;4-Aminobenzylamine, 99%;SCHEMBL76433;N-(4-aminophenylmethyl)amine;[4-(aminomethyl)phenyl]amine;SCHEMBL7190155;DTXSID30330206;4-(AMINOMETHYL)BENZENAMINE;STR08584;AB6065;BBL012240;BDBM50408786;MFCD00075513;STK663446;AKOS003264923;PS-3520;AM20040484;FT-0617567;EN300-79056;A25056;Q27455357;4ZY

Chemical Property of 4-Aminobenzylamine

Chemical Property:

• Appearance/Colour: White to light yellow crystalline powder
• Vapor Pressure: 4.84E-05mmHg at 25°C
• Melting Point: 37 °C
• Refractive Index: n20/D 1.61(lit.)
• Boiling Point: 349 °C at 760 mmHg
• PKA: 9.65±0.10(Predicted)
• Flash Point: 132 °C
• PSA: 52.04000
• Density: 1.093 g/cm³
• LogP: 2.00900
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 122.084398327
• Heavy Atom Count: 9
• Complexity: 75

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Aminobenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)N
• Uses: 4-Aminobenzylamine may be used:in the electrochemical modification of single-walled carbon nanotubes (SWCNTs), via oxidative couplingin the preparation of a novel acridine-based amino acidin the synthesis of two novel fluorescent Photoinduced Electron Transfer (PET) anion sensors, based on the principle of ′fluorophore-spacer-(anion)receptor′in anodic coupling of SWCNTsin the synthesis of polyacrylamide series containing salicylideneaniline moieties, by a double polymer analogous reaction with reactive precursor polymer poly(pentafluorophenylacrylate) (PPFPA)

Technology Process of 4-Aminobenzylamine

There total 25 articles about 4-Aminobenzylamine 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: 100.0%

4-Aminobenzonitrile (873-74-5) → (4-aminomethyl)aniline (4403-71-8)

Guidance literature:

With Zr₁₂(μ₃-O)₅[(μ₃-O)CoCl]₈[(μ₂-O)₂(μ₃-O)CoCl]₃Li₃(triphenyldicarboxylate)₉; hydrogen; In toluene; at 110 ℃; for 42h; under 30003 Torr; Catalytic behavior; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.7b02394

Reference yield: 95.0%

4-nitrobenzaldehyde oxime (1129-37-9,174848-02-3,20707-69-1) → (4-aminomethyl)aniline (4403-71-8)

Guidance literature:

With (pyridine)(tetrahydroborato)zinc; In tetrahydrofuran; for 4.3h; Heating;

DOI:10.1002/jccs.200500016

Reference yield: 86.0%

N-(p-aminobenzyl)acetamide (99362-10-4) → (4-aminomethyl)aniline (4403-71-8)

Guidance literature:

With sodium hydroxide; for 2.5h; Heating;

DOI:10.1021/ja00034a040

upstream raw materials:

p-nitrobenzylamine

2-(4-amino-benzyl)-isoindole-1,3-dione

N-(4-nitrobenzyl)acetamide

chloro-acetic acid-(4-acetylamino-benzylamide)

Downstream raw materials:

1-isocyanate-4-(isocyanatomethyl)benzene

4‐(tert‐butoxycarbonylamino)benzylamine

N-[(4-aminophenyl)methyl]formamide

N-(4-formamidobenzyl)formamide

Refernces

• 1、 Formenti, Dario,Mocci, Rita,Atia, Hanan,Dastgir, Sarim,Anwar, Muhammad,Bachmann, Stephan,Scalone, Michelangelo,Junge, Kathrin,Beller, Matthias. "A State-of-the-Art Heterogeneous Catalyst for Efficient and General Nitrile Hydrogenation". supporting information. p. 15589 - 15595. Retrieved 2020/10/02.
• 2、 Liu, Yaxu,He, Shaopo,Quan, Ziyi,Cai, Huizhuo,Zhao, Yang,Wang, Bo. "Mild palladium-catalysed highly efficient hydrogenation of CN, C-NO2, and CO bonds using H2 of 1 atm in H2O". supporting information. p. 830 - 838. Retrieved 2019/02/27.