4-(Aminomethyl)aniline dihydrochloride

Base Information

• Chemical Name: 4-(Aminomethyl)aniline dihydrochloride
• CAS No.: 54799-03-0
• Molecular Formula: C₇H₁₀N₂*2ClH
• Molecular Weight: 195.092
• Hs Code.: 29215900
• European Community (EC) Number: 611-198-9
• DSSTox Substance ID: DTXSID40501768
• Mol file: 54799-03-0.mol

Synonyms:4-(Aminomethyl)aniline dihydrochloride;54799-03-0;4-Aminobenzylamine 2HCl;4-aminobenzylamine dihydrochloride;4-(aminomethyl)aniline;dihydrochloride;4-(Aminomethyl)benzenamine dihydrochloride;4-(Aminomethyl)aniline DiHCl;MFCD03160786;Benzenemethanamine, 4-amino-, dihydrochloride;4-(aminomethyl)aniline 2HCl;SCHEMBL10796330;DTXSID40501768;(4-aminobenzyl)amine dihydrochloride;4-(Aminomethyl)anilinedihydrochloride;AKOS015900938;4-(AMINOMETHYL)BENZENAMINE 2HCL;DS-18521;SY058286;Benzenemethanamine,4-amino-, hydrochloride;AM20040693;CS-0157497;FT-0689198;A25058;EN300-7370045;4-(Aminomethyl)aniline--hydrogen chloride (1/2);Benzenemethanamine, 4-amino-, hydrochloride (1:2);4-Amino-benzenemethanamine hydrochloride (1:2);Benzenemethanamine,4-amino-, dihydrochloride (9CI);p-Aminobenzylaminedihydrochloride

Chemical Property of 4-(Aminomethyl)aniline dihydrochloride

Chemical Property:

• Melting Point: 360 °C
• Boiling Point: 327 °C at 760 mmHg
• Flash Point: 151.6 °C
• PSA: 52.04000
• LogP: 3.61300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.0377538
• Heavy Atom Count: 11
• Complexity: 75

Purity/Quality:

99% ^*data from raw suppliers

4-(Aminomethyl)anilineDihydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)N.Cl.Cl

Technology Process of 4-(Aminomethyl)aniline dihydrochloride

There total 9 articles about 4-(Aminomethyl)aniline dihydrochloride 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: 99.0%

4-Aminobenzonitrile (873-74-5) → 4-(aminomethyl)aniline dihydrochloride (10003-73-3,54799-03-0,140401-57-6)

Guidance literature:

4-Aminobenzonitrile; With hydrogen; at 130 ℃; for 6h; under 750.075 Torr;

chemoselective reaction; Acidic conditions;

DOI:10.1021/acscatal.0c04379

Reference yield: 99.0%

tert-butyl N-(4-cyanophenyl)carbamate (143090-18-0) → 4-(aminomethyl)aniline dihydrochloride (10003-73-3,54799-03-0,140401-57-6)

Guidance literature:

tert-butyl N-(4-cyanophenyl)carbamate; With hydrogen; at 130 ℃; for 6h; under 750.075 Torr;

chemoselective reaction; Acidic conditions;

DOI:10.1021/acscatal.0c04379

Reference yield: 78.0%

C19H32B2N2O4 → 4-(aminomethyl)aniline dihydrochloride (10003-73-3,54799-03-0,140401-57-6)

Guidance literature:

With hydrogenchloride; In water; at 25 ℃; for 2h; Temperature;

DOI:10.1021/jacs.5b08406

upstream raw materials:

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

Acetanilid

4-Aminobenzonitrile

(4-aminomethyl)aniline

Downstream raw materials:

4-((bis(pyridin-2-ylmethyl)amino)methyl)-N,N-bis(pyridin-2-ylmethyl)aniline

N-(4-acetamidobenzyl)acetamide

(4-acetamidophenyl)methanammonium chloride

N-(4-aminobenzyl)acetamide hydrochloride

Refernces

• 1、 Zhao, Lixing,Hu, Chenyang,Cong, Xuefeng,Deng, Gongda,Liu, Liu Leo,Luo, Meiming,Zeng, Xiaoming. "Cyclic (Alkyl)(amino)carbene Ligand-Promoted Nitro Deoxygenative Hydroboration with Chromium Catalysis: Scope, Mechanism, and Applications". supporting information. p. 1618 - 1629. Retrieved 2021/01/25.
• 2、 Tokmic, Kenan,Jackson, Bailey J.,Salazar, Andrea,Woods, Toby J.,Fout, Alison R.. "Cobalt-Catalyzed and Lewis Acid-Assisted Nitrile Hydrogenation to Primary Amines: A Combined Effort". . p. 13554 - 13561. Retrieved 2017/10/05.