2,3,5-Trimethylaniline

Base Information

• Chemical Name: 2,3,5-Trimethylaniline
• CAS No.: 767-77-1
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• European Community (EC) Number: 966-051-4
• DSSTox Substance ID: DTXSID40509744
• Wikidata: Q82367579
• Mol file: 767-77-1.mol

Synonyms:2,3,5-trimethylaniline;767-77-1;Benzenamine, 2,3,5-trimethyl-;2,3,5-trimethyl aniline;SCHEMBL394778;DTXSID40509744;FFDVTEHMPLVFMS-UHFFFAOYSA-N;AMY28438;MFCD01863780;AKOS006221421;SB75482;BS-51856;CS-0161551;E10144;EN300-1702298;A928765

Chemical Property of 2,3,5-Trimethylaniline

Chemical Property:

• Melting Point: 39 °C
• Boiling Point: 239.2±9.0 °C(Predicted)
• PKA: 4.70±0.10(Predicted)
• PSA: 26.02000
• Density: 0.962±0.06 g/cm3(Predicted)
• LogP: 2.77520
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 111

Purity/Quality:

99%, ^*data from raw suppliers

2,3,5-TRIMETHYLANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)N)C)C

Technology Process of 2,3,5-Trimethylaniline

There total 7 articles about 2,3,5-Trimethylaniline 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: 78.8%

→ 2,3,5-trimethylaniline (767-77-1)

Guidance literature:

Reference yield: 75.5%

4-bromo-3-nitro-1,2,5-trimethylbenzene (154152-57-5) → 2,3,5-trimethylaniline (767-77-1)

Guidance literature:

With sodium hydroxide; hydrogen; nickel; In ethanol; under 114000 Torr;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + diethyl ether (60-29-7,927820-24-4) + trimethyl-[1,4]benzoquinone-1-imine-4-(2,3,5-trimethyl-phenylimine) → 2,3,5-Trimethyl-1,4-benzoquinone (935-92-2) + 2,3,5-trimethylaniline (767-77-1)

Guidance literature:

upstream raw materials:

1,2,4-trimethyl-6-nitrobenzene

4-bromo-3-nitro-1,2,5-trimethylbenzene

6-Acetoxy-3,5,6-trimethyl-2,4-cyclohexadien-1-on

hydrogenchloride

Downstream raw materials:

2,3,5-trimethyl-p-phenylenediamine

2,3,5-trimethyl-N⁴-(2,3,5-trimethyl-phenyl)-p-phenylenediamine

1-(2,5,6-trimethyl-4-methoxyphenyl)-but-1-en-3-one

5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-2(E),4(E)-pentadien-1-al

Refernces

• 1、 -. "Manufacture of aromatic amino compounds". . . Retrieved 2008/06/13.