Benzenemethanamine, 4-amino-N-methyl-

Base Information

• Chemical Name: Benzenemethanamine, 4-amino-N-methyl-
• CAS No.: 38020-69-8
• Molecular Formula: C8H12N2
• Molecular Weight: 136.197
• Hs Code.: 2921590090
• European Community (EC) Number: 253-747-1
• DSSTox Substance ID: DTXSID6068060
• Nikkaji Number: J89.191F
• Wikidata: Q72439232
• Mol file: 38020-69-8.mol

Synonyms:38020-69-8;4-((Methylamino)methyl)aniline;4-Amino-N-methylbenzylamine;n-methyl-4-aminobenzylamine;Benzenemethanamine, 4-amino-N-methyl-;4-Aminobenzylmethylamine;N-(4-Aminobenzyl)-N-methylamine;(4-Aminobenzyl)methylamine;4-(methylaminomethyl)aniline;4-[(methylamino)methyl]aniline;EINECS 253-747-1;MFCD00035952;4-Amino-N-methylbenzenemethanamine;p-aminobenzylmethylamine;4-amino benzyl methylamine;4-amino-n-methyl-benzylamine;SCHEMBL680484;DTXSID6068060;N-Methyl-N-[4-aminobenzyl]-amin;AMY17978;Benzenemethanamine,4-amino-N-methyl;AKOS009159317;PS-5932;SY003698;CS-0187752;FT-0639425;EN300-2991779;W-106503

Chemical Property of Benzenemethanamine, 4-amino-N-methyl-

Chemical Property:

• Appearance/Colour: colourless or bright yellow liquid
• Vapor Pressure: 0.0305mmHg at 25°C
• Melting Point: 177-182oC
• Refractive Index: 1.568
• Boiling Point: 244.4 °C at 760 mmHg
• PKA: 10.24±0.10(Predicted)
• Flash Point: 116.4 °C
• PSA: 38.05000
• Density: 1.021 g/cm³
• LogP: 1.96030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.100048391
• Heavy Atom Count: 10
• Complexity: 85.3

Purity/Quality:

99% ^*data from raw suppliers

4-[(Methylamino)methyl]aniline 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=CC=C(C=C1)N

Technology Process of Benzenemethanamine, 4-amino-N-methyl-

There total 9 articles about Benzenemethanamine, 4-amino-N-methyl- 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: 49.0%

(4-aminomethyl)aniline (4403-71-8) + carbonic acid dimethyl ester (616-38-6) → 4-(dimethylaminomethyl)aniline (6406-74-2) + 4-((methylamino)methyl)aniline (38020-69-8) + methyl N-(4-aminobenzyl)carbamate

Guidance literature:

With carbon dioxide; at 130 ℃; for 17h; under 67505.4 Torr;

DOI:10.1021/jo0477796

Reference yield:

N-methyl-4-nitrobenzylamine (19499-60-6) → 4-((methylamino)methyl)aniline (38020-69-8)

Guidance literature:

With hydrogen; In ethanol; at 45 ℃; under 3750.38 - 7500.75 Torr; Temperature; Autoclave;

Reference yield:

→ 4-((methylamino)methyl)aniline (38020-69-8)

Guidance literature:

With ethanol; palladium; Hydrogenation;

DOI:10.1021/ja01250a048

upstream raw materials:

ethanol

hydrogenchloride

(4-aminomethyl)aniline

carbonic acid dimethyl ester

Downstream raw materials:

2-(2,4-difluorophenyl)-1-[methyl(4-aminobenzyl)amino]-3-(1H-1,2,4-triazol-1-yl)propan-2-ol

(4-aminobenzyl)(methyl)carbamic acid tert-butyl ester

Refernces

• 1、 Selva, Maurizio,Tundo, Pietro,Perosa, Alvise,Dall'Acqua, Federico. "Synthesis of methyl carbamates from primary aliphatic amines and dimethyl carbonate in supercritical CO2: Effects of pressure and cosolvents and chemoselectivity". . p. 2771 - 2777. Retrieved 2007/10/03.