4,5-Dimethoxy-2-methylaniline

Base Information

• Chemical Name: 4,5-Dimethoxy-2-methylaniline
• CAS No.: 41864-45-3
• Molecular Formula: C9H13NO2
• Molecular Weight: 167.208
• Hs Code.: 2922299090
• European Community (EC) Number: 674-249-4
• NSC Number: 105305
• DSSTox Substance ID: DTXSID30295745
• Wikidata: Q82035869
• Mol file: 41864-45-3.mol

Synonyms:4,5-Dimethoxy-2-methylaniline;41864-45-3;2-methyl-4,5-dimethoxyaniline;4,5-dimethoxy-2-methyl-aniline;4,5-dimethoxy-2-methyl-phenylamine;NSC105305;Enamine_005375;NCIOpen2_002073;3.4-Dimethoxy-6-aminotoluol;SCHEMBL1225409;3,4-Dimethoxy-6-amino toluene;DTXSID30295745;4,5-Dimethoxy-2-methylaniline #;HMS1409E07;4,5-Dimethoxy-2-methylbenzenamine;MFCD00130067;AKOS000116455;AC-3738;AM61965;Benzenamine, 4,5-dimethoxy-2-methyl-;NSC-105305;AS-50162;CS-0112986;FT-0639744;EN300-34110;A19806;O11127

Chemical Property of 4,5-Dimethoxy-2-methylaniline

Chemical Property:

• Vapor Pressure: 0.00311mmHg at 25°C
• Melting Point: 108-110 °C
• Refractive Index: 1.536
• Boiling Point: 283.7 °C at 760 mmHg
• PKA: 4.63±0.10(Predicted)
• Flash Point: 136.2 °C
• PSA: 44.48000
• Density: 1.072 g/cm³
• LogP: 2.17560
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.094628657
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

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

4,5-Dimethoxy-2-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N)OC)OC

Technology Process of 4,5-Dimethoxy-2-methylaniline

There total 2 articles about 4,5-Dimethoxy-2-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: 99.0%

1,2-dimethoxy-4-methyl-5-nitrobenzene (7509-11-7) → 4,5-dimethoxy-2-methylaniline (41864-45-3)

Guidance literature:

With platinum(IV) oxide; hydrogen; In ethanol; at 20 ℃; for 2h;

DOI:10.1007/s00706-007-0826-8

Reference yield:

→ 4,5-dimethoxy-2-methylaniline (41864-45-3)

Guidance literature:

Nitroverb., Dithionit;

DOI:10.1002/ardp.19733060303

Reference yield: 99.0%

phosgene (75-44-5) + 4,5-dimethoxy-2-methylaniline (41864-45-3) → 1-isocyanato-4,5-dimethoxy-2-methyl-benzene

Guidance literature:

With pyridine; dmap; In toluene; at 20 ℃; for 2h;

DOI:10.1021/acs.jmedchem.5b00365

upstream raw materials:

1,2-dimethoxy-4-methyl-5-nitrobenzene

Downstream raw materials:

4-amino-5-methyl-pyrocatechol

4-Amino-2-methoxy-5-methyl-phenol

5-Amino-2-methoxy-4-methyl-phenol

4,5-dimethoxy-N,2-dimethylaniline

Refernces

• 1、 Reimann, Eberhard,Hertel, Rainer,Krauss, Juergen. "Synthesis of 6-methyl-8H-dibenzo[a,g]quinolizin-8-imines via Reissert compounds". experimental part. p. 673 - 684. Retrieved 2009/07/18.