N-Methyl-4-methylbenzylamine

Base Information

• Chemical Name: N-Methyl-4-methylbenzylamine
• CAS No.: 699-04-7
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 2921499090
• European Community (EC) Number: 810-852-2
• DSSTox Substance ID: DTXSID60383285
• Nikkaji Number: J997.542J
• Wikidata: Q72492762
• Mol file: 699-04-7.mol

Synonyms:699-04-7;N-Methyl-4-methylbenzylamine;N-Methyl-N-(4-Methylbenzyl)amine;N-Methyl-1-(p-tolyl)methanamine;N-methyl-1-(4-methylphenyl)methanamine;4-Methyl-N-methylbenzylamine;methyl[(4-methylphenyl)methyl]amine;Benzenemethanamine, N,4-dimethyl-;MFCD04115412;Methyl(4-methylbenzyl)amine;4-[(Methylamino)methyl]toluene;4,N-dimethylbenzylamine;methyl-4-methylbenzylamine;n-methyl-1-p-tolylmethanamine;SCHEMBL296509;?4-Methyl-N-methylbenzylamine;methyl-(4-methyl benzyl)-amine;DTXSID60383285;YDFFIGRIWDSNOZ-UHFFFAOYSA-N;STK832104;AKOS000264095;CS-W003184;PS-3909;SY004191;AM20061047;FT-0694845;EN300-07233;N-Methyl-N-(4-methylbenzyl)amine, AldrichCPR;J-523702;Z56944115

Chemical Property of N-Methyl-4-methylbenzylamine

Chemical Property:

• Vapor Pressure: 0.45mmHg at 25°C
• Melting Point: 70°C
• Boiling Point: 194.1 ºC at 760 mmHg
• PKA: 9.98±0.10(Predicted)
• Flash Point: 76.6 ºC
• PSA: 12.03000
• Density: 0.917 g/cm3
• LogP: 2.10530
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• 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: 82.7

Purity/Quality:

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

N-Methyl-4-methylbenzylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 22-34-36
• Safety Statements: 36/37/39-26-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CNC

Technology Process of N-Methyl-4-methylbenzylamine

There total 23 articles about N-Methyl-4-methylbenzylamine 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: 87.0%

4-Methylbenzyl chloride (104-82-5) + methylamine (74-89-5) → N-methyl-p-methylbenzylamine (699-04-7)

Guidance literature:

In ethanol; for 4h;

Reference yield: 74.0%

methanol (67-56-1) + 4-methylphenylmethylazide (17271-89-5) → 4-methyl-N,N-dimethylbenzylamine (4052-88-4) + N-methyl-p-methylbenzylamine (699-04-7)

Guidance literature:

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

DOI:10.1039/c8gc00863a

Reference yield:

p-methylbenzylidene-methylamine (17972-13-3,29086-13-3,53699-34-6) → N-methyl-p-methylbenzylamine (699-04-7)

Guidance literature:

With ethanol; sodium;

DOI:10.1016/S0940-9602(02)80062-0

upstream raw materials:

p-methylbenzylidene-methylamine

4-methyl-benzaldehyde

methylamine

4-Methylbenzyl chloride

Downstream raw materials:

dichloro-acetic acid-[methyl-(4-methyl-benzyl)-amide]

methyl-(4-methyl-benzyl)-(4-phenyl-benzyl)-amine

methyl-(3-methyl-benzyl)-(4-methyl-benzyl)-amine

methyl-(4-methyl-benzyl)-carbamonitrile