2-(Methylaminomethyl)aniline

Base Information

• Chemical Name: 2-(Methylaminomethyl)aniline
• CAS No.: 1904-69-4
• Molecular Formula: C8H12N2
• Molecular Weight: 136.197
• Hs Code.: 2921590090
• European Community (EC) Number: 829-175-9
• DSSTox Substance ID: DTXSID50473381
• Nikkaji Number: J80.342A
• Wikidata: Q82302739
• Mol file: 1904-69-4.mol

Synonyms:2-(methylaminomethyl)aniline;1904-69-4;2-[(methylamino)methyl]aniline;2-((Methylamino)methyl)aniline;2-(methylaminomethyl)-aniline;Benzenemethanamine, 2-amino-N-methyl-;2-AMino-N-MethylbenzylaMine;2-Amino-N-methyl-benzylamine;SCHEMBL681379;DTXSID50473381;KNHJWNJISZHGDV-UHFFFAOYSA-N;2-Amino-N-methyl-benzylamine 2HCl;AKOS010462232;[2-(methylamino-methyl)-phenyl]-amine;CS-0449124;FT-0758898;EN300-100576;F13330;Z764242576

Chemical Property of 2-(Methylaminomethyl)aniline

Chemical Property:

• PSA: 38.05000
• LogP: 1.96030
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.100048391
• Heavy Atom Count: 10
• Complexity: 93.3

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-N-methyl-benzylamineDihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=CC=CC=C1N

Technology Process of 2-(Methylaminomethyl)aniline

There total 20 articles about 2-(Methylaminomethyl)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: 100.0%

→ 2-amino-N-methylbenzylamine (1904-69-4)

Guidance literature:

Reference yield: 99.0%

(2-nitrobenzyl)methylamine (56222-08-3) → 2-amino-N-methylbenzylamine (1904-69-4)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 20 ℃; for 0.25h; under 10343.2 Torr; Inert atmosphere;

DOI:10.1002/anie.201609733

Reference yield: 70.0%

methylamine (74-89-5) + 2-nitro-benzaldehyde (552-89-6) → 2-amino-N-methylbenzylamine (1904-69-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; acetic acid; In tetrahydrofuran; at 40 ℃; Flow reactor;

DOI:10.1002/ardp.201600020

upstream raw materials:

4-chloroquinazoline

(2-nitrobenzyl)methylamine

2-(2-aminoethyl)nitrobenzene

methylamine

Downstream raw materials:

4-methyl-2,4-diphenyl-4,4a,5,6-tetrahydro-1H[1,3,5]triazino[1,2-a]quinazoline-1,3(2H)-dione

15-methyl-3,13-diphenyl-3,5,13,15-tetraazatetracyclo[10.2.1.0^1,5.0^6,11]pentadeca-6⁽¹¹⁾,7,9-triene-2,4,14-trione

3-methyl-3,4-dihydro-2(1H)-quinazolinone

C₁₅H₁₈N₂O₂S

Refernces

• 1、 Sharma, Nutan,Sharma, Pankaj,Bhagat, Sunita. "Eco-friendly reactions in PEG-400: A highly efficient and green approach for stereoselective access to multisubstituted 3,4-dihydro-2(1: H)-quinazolines using 2-aminobenzylamines". . p. 8721 - 8731. Retrieved 2018/03/08.
• 2、 Camacho, M. Encarnación,Chayah, Mariem,García, M. Esther,Fernández-Sáez, Nerea,Arias, Fabio,Gallo, Miguel A.,Carrión, M. Dora. "Quinazolinones, Quinazolinthiones, and Quinazolinimines as Nitric Oxide Synthase Inhibitors: Synthetic Study and Biological Evaluation". . p. 638 - 650. Retrieved 2016/08/27.