N-Methyl-1-(o-tolyl)methanamine

Base Information

• Chemical Name: N-Methyl-1-(o-tolyl)methanamine
• CAS No.: 874-33-9
• Molecular Formula: C9H13 N
• Molecular Weight: 135.209
• Hs Code.: 2921499090
• European Community (EC) Number: 845-074-2
• NSC Number: 97436
• DSSTox Substance ID: DTXSID70294616
• Nikkaji Number: J1.695.345H
• Wikidata: Q72492765
• Mol file: 874-33-9.mol

Synonyms:874-33-9;N-Methyl-1-(o-tolyl)methanamine;n-methyl-n-(2-methylbenzyl)amine;2-Methyl-N-methylbenzylamine;N-methyl-1-(2-methylphenyl)methanamine;N,2-Dimethylbenzylamine;Benzenemethanamine, N,2-dimethyl-;methyl[(2-methylphenyl)methyl]amine;MFCD04625428;NSC97436;Methyl(2-methylbenzyl)amine;methyl (2-methylbenzyl)amine;SCHEMBL606716;methyl-(2-methyl-benzyl)-amine;DTXSID70294616;NSC 97436;NSC-97436;STK513263;AKOS000264094;AS-8646;SB75448;SY021461;BB 0258208;CS-0045339;FT-0683708;EN300-07488;I12011;A862594;Z56948272

Chemical Property of N-Methyl-1-(o-tolyl)methanamine

Chemical Property:

• Vapor Pressure: 0.398mmHg at 25°C
• Melting Point: 129 °C
• Boiling Point: 196.5°C at 760 mmHg
• PKA: 9.76±0.10(Predicted)
• Flash Point: 78.9°C
• PSA: 12.03000
• Density: 0.917±0.06 g/cm3(Predicted)
• LogP: 2.10530
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

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

N-methyl-1-(2-methylphenyl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CNC
• Uses: (R)-N-methyl-2-methylbenzylamine is resistant to displacement by the aqueous extractants.

Technology Process of N-Methyl-1-(o-tolyl)methanamine

There total 11 articles about N-Methyl-1-(o-tolyl)methanamine 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%

N-[(2-methylphenyl)methylene]methanamine (18100-53-3) → methyl-(2-methylbenzyl)amine (874-33-9)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 20h;

DOI:10.1016/j.bmc.2006.09.026

Reference yield: 67.0%

methanol (67-56-1) + 2-methylbenzylazide (126799-83-5) → methyl-(2-methylbenzyl)amine (874-33-9) + N,N-dimethyl(2-methylbenzyl)amine (4525-48-8)

Guidance literature:

With trans-RuCl(phenpyra-Me)(PPh₃)₂PF₆; sodium hydroxide; at 125 ℃; for 24h; Sealed tube; Inert atmosphere; Glovebox;

DOI:10.1039/c8gc00863a

Reference yield: 60.0%

methanol (67-56-1) + 2-methylbenzylazide (126799-83-5) → ortho-methylbenzylamine (89-93-0) + methyl-(2-methylbenzyl)amine (874-33-9) + N,N-dimethyl(2-methylbenzyl)amine (4525-48-8)

Guidance literature:

With trans-RuCl(phenpyra-Me)(PPh₃)₂PF₆; sodium hydroxide; at 125 ℃; for 2.5h; Sealed tube; Inert atmosphere; Glovebox;

DOI:10.1039/c8gc00863a

upstream raw materials:

2-methylbenzyl bromide

methylamine

N,2-dimethylbenzamide

methylamine hydrochloride

Downstream raw materials:

(4-chloro-benzyl)-methyl-(2-methyl-benzyl)-amine

o-Xylyl-<6-hydroxy-hexyl>-methylamin

3-[4-(N-methylamino-N-(2-methylbenzyl))butyl]benzo[d]oxazol-2(3H)-one

2-(methyl(2-methylbenzyl)amino)benzaldehyde

Refernces

• 1、 Choi, Geunho,Hong, Soon Hyeok. "Selective Monomethylation of Amines with Methanol as the C1 Source". supporting information. p. 6166 - 6170. Retrieved 2018/04/30.
• 2、 -. "INDAZOLEPROPIONIC ACID AMIDE COMPOUND". Page/Page column 41-42. . Retrieved 2012/02/01.