N,2,6-trimethylaniline

Base Information

• Chemical Name: N,2,6-trimethylaniline
• CAS No.: 767-71-5
• Molecular Formula: C9H13 N
• Molecular Weight: 135.209
• Hs Code.: 2921430090
• European Community (EC) Number: 800-160-9
• NSC Number: 42981
• DSSTox Substance ID: DTXSID70227500
• Nikkaji Number: J833.943K
• Wikidata: Q83107250
• Mol file: 767-71-5.mol

Synonyms:N,2,6-trimethylaniline;767-71-5;N,2,6-Trimethylbenzenamine;Benzenamine,N,2,6-trimethyl-;NSC42981;N-methyl-2,6-xylidine;N-methyl-2,6-dimethylaniline;SCHEMBL1006539;benzenamine, N,2,6-trimethyl-;DTXSID70227500;N,N-Diethylethanolammoniumchloride;MFCD00613418;NSC 42981;NSC-42981;STK501252;AKOS003662833;SS-4604;BB 0256524;CS-0319448;FT-0678593;F87722;EN300-1253477;A922873

Chemical Property of N,2,6-trimethylaniline

Chemical Property:

• Vapor Pressure: 0.0974mmHg at 25°C
• Boiling Point: 223.2°C at 760 mmHg
• PKA: 4.60±0.10(Predicted)
• Flash Point: 88.4°C
• PSA: 12.03000
• Density: 0.955g/cm³
• LogP: 2.41810
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 90.9

Purity/Quality:

98%min ^*data from raw suppliers

N,2,6-Trimethylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N,2,6-trimethylaniline

There total 15 articles about N,2,6-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: 99.0%

2,6-dimethylaniline (87-62-7) + methyl iodide (74-88-4) → N-methyl-2,6-dimethylaniline (767-71-5)

Guidance literature:

DOI:10.1039/b617576g

Reference yield: 88.0%

N-methyl-N-2,6-dimethylphenylcarbamoylchloride (27237-52-1) → 1,7-dimethylindolin-2-one (67358-21-8) + N-methyl-2,6-dimethylaniline (767-71-5)

Guidance literature:

With N-hydroxy pivalamide; carbon monoxide; palladium diacetate; caesium carbonate; catacxium A; In 1,3,5-trimethyl-benzene; at 120 ℃; for 3h; chemoselective reaction;

DOI:10.1002/anie.201108889

Reference yield: 85.0%

N,N,2,6-tetramethylaniline (769-06-2,63469-00-1) → N-methyl-2,6-dimethylaniline (767-71-5)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 0 - 25 ℃; for 8h;

DOI:10.1021/jo991864+

upstream raw materials:

phenyltrimethylammonium iodide

dimethyl sulfate

2,6-dimethylaniline

methyl iodide

Downstream raw materials:

N-(2,6-dimethylphenyl)-N-methylacetamide

succinic acid bis-(2,6,N-trimethyl-anilide)

N,N'-bis-(2,6-dimethyl-phenyl)-N,N'-dimethyl-but-2-ynediyldiamine

N-(2,6-Dimethylphenyl)-N-methylformamide

Refernces

• 1、 Santoro, Orlando,Lazreg, Fama,Minenkov, Yury,Cavallo, Luigi,Cazin, Catherine S. J.. "N-heterocyclic carbene copper(i) catalysed N-methylation of amines using CO2". . p. 18138 - 18144. Retrieved 2015/10/28.
• 2、 -. "INDAZOLEPROPIONIC ACID AMIDE COMPOUND". Page/Page column 37. . Retrieved 2012/02/01.