2,4,6-Trimethoxy-N-methylaniline

Base Information

• Chemical Name: 2,4,6-Trimethoxy-N-methylaniline
• CAS No.: 600121-37-7
• Molecular Formula: C10H15NO3
• Molecular Weight: 197.231
• DSSTox Substance ID: DTXSID10514305
• Nikkaji Number: J1.905.795J
• Wikidata: Q82374550
• Mol file: 600121-37-7.mol

Synonyms:2,4,6-Trimethoxy-N-methylaniline;600121-37-7;Benzenamine, 2,4,6-trimethoxy-N-methyl- (9CI);SCHEMBL2093561;DTXSID10514305

Chemical Property of 2,4,6-Trimethoxy-N-methylaniline

Chemical Property:

• Boiling Point: 290.9±40.0 °C(Predicted)
• PKA: 5.55±0.12(Predicted)
• PSA: 39.72000
• Density: 1.090±0.06 g/cm3(Predicted)
• LogP: 1.82710
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 197.10519334
• Heavy Atom Count: 14
• Complexity: 151

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=C(C=C1OC)OC)OC

Technology Process of 2,4,6-Trimethoxy-N-methylaniline

There total 3 articles about 2,4,6-Trimethoxy-N-methylaniline 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: 94.0%

(1,3-dimethyl-imidazolidin-2-ylidene)-(2,4,6-trimethoxy-phenyl)-amine (600121-36-6) → 2,4,6-trimethoxy-N-methylaniline (600121-37-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1246/cl.2003.548

Reference yield: 67.0%

1,2,3-trimethoxybenzene (621-23-8) + O-(p-toluenesulfonyl)-N-methylhydroxylamine (25370-97-2) → 2,4,6-trimethoxy-N-methylaniline (600121-37-7)

Guidance literature:

With air; at 20 ℃; for 36h; chemoselective reaction;

DOI:10.1002/adsc.202100236

Reference yield:

1,2,3-trimethoxybenzene (621-23-8) → 2,4,6-trimethoxy-N-methylaniline (600121-37-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent Spectr_. / SnCl₄ / CH₂Cl₂ / 20 °C

2: 94 percent / LiAlH₄ / tetrahydrofuran / 24 h / 20 °C

With lithium aluminium tetrahydride; tin(IV) chloride; In tetrahydrofuran; dichloromethane;

DOI:10.1246/cl.2003.548

upstream raw materials:

(1,3-dimethyl-imidazolidin-2-ylidene)-(2,4,6-trimethoxy-phenyl)-amine

1,2,3-trimethoxybenzene

O-(p-toluenesulfonyl)-N-methylhydroxylamine