3-Methyl-N-methylbenzylamine

Base Information

• Chemical Name: 3-Methyl-N-methylbenzylamine
• CAS No.: 39180-84-2
• Molecular Formula: C9H13 N
• Molecular Weight: 135.209
• Hs Code.: 2921499090
• European Community (EC) Number: 626-034-1
• DSSTox Substance ID: DTXSID50549651
• Nikkaji Number: J1.474.749D
• Wikidata: Q72492768
• Mol file: 39180-84-2.mol

Synonyms:3-Methyl-N-methylbenzylamine;39180-84-2;N-Methyl-1-(m-tolyl)methanamine;(3-Methylbenzyl)methylamine;N-methyl-1-(3-methylphenyl)methanamine;N-Methyl-3-methylbenzylamine;N,3-Dimethylbenzylamine;MFCD05865181;methyl[(3-methylphenyl)methyl]amine;Benzenemethanamine, N,3-dimethyl-;3-METHYL-N-METHYLBENZYLAMINE 97;SCHEMBL1038988;DTXSID50549651;WCTNVGNEUDTSOZ-UHFFFAOYSA-N;3-Methyl-N-methylbenzylamine, 97%;AKOS000130553;SB75440;DS-16598;SY052858;CS-0153218;M2824;EN300-33201;C78188;A873702;Z102766992

Chemical Property of 3-Methyl-N-methylbenzylamine

Chemical Property:

• Vapor Pressure: 0.464mmHg at 25°C
• Refractive Index: n20/D 1.5190(lit.)
• Boiling Point: 90-92 ºC (15 mmHg)
• Flash Point: 79 ºC
• PSA: 12.03000
• Density: 0.900
• LogP: 2.10530
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.9
• 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

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

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)CNC
• Uses: 3-Methyl-N-methylbenzylamine, is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

Technology Process of 3-Methyl-N-methylbenzylamine

There total 13 articles about 3-Methyl-N-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: 95.0%

3,3-dimethyl-1-(4-methylphenyl)triazene (7203-89-6) → N-methyl-1-(m-tolyl)methanamine (39180-84-2)

Guidance literature:

3,3-dimethyl-1-(4-methylphenyl)triazene; With n-butyllithium; In tetrahydrofuran; at 0 ℃; for 1h;

With water;

DOI:10.1002/1521-3773(20020201)41:3<484::AID-ANIE484>3.0.CO;2-W

Reference yield: 87.0%

methanol (67-56-1) + 1-(azidomethyl)-3-methylbenzene (126799-82-4) → N,N,3-trimethylbenzylamine (23879-32-5) + N-methyl-1-(m-tolyl)methanamine (39180-84-2)

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: 75.0%

methylamine (74-89-5) + m-tolyl aldehyde (620-23-5) → N-methyl-1-(m-tolyl)methanamine (39180-84-2)

Guidance literature:

methylamine; m-tolyl aldehyde; In methanol; for 0.333333h;

With sodium tetrahydroborate; water; In methanol; at 0 - 20 ℃;

upstream raw materials:

methylamine

m-tolyl aldehyde

3,3-dimethyl-1-(p-tolyl)-1-triazene

methylamine hydrochloride

Downstream raw materials:

C₃₅H₄₆FN₃O₆

C₁₂H₁₉NO

2-(methyl(3-methylbenzyl)amino)benzaldehyde

3-[Methyl-(3-methyl-benzyl)-amino]-1-phenyl-propan-1-one

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、 Pechulis, Anthony D.,Beck, James P.,Curry, Matt A.,Wolf, Mark A.,Harms, Arthur E.,Xi, Ning,Opalka, Chet,Sweet, Mark P.,Yang, Zhicai,Vellekoop, A. Samuel,Klos, Andrew M.,Crocker, Peter J.,Hassler, Carla,Laws, Mia,Kitchen, Douglas B.,Smith, Mark A.,Olson, Richard E.,Liu, Shuang,Molino, Bruce F.. "4-Phenyl tetrahydroisoquinolines as dual norepinephrine and dopamine reuptake inhibitors". . p. 7219 - 7222. Retrieved 2013/01/15.