2,3,6-Trimethylaniline

Base Information

• Chemical Name: 2,3,6-Trimethylaniline
• CAS No.: 18102-21-1
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• DSSTox Substance ID: DTXSID30474750
• Nikkaji Number: J3.190.868J
• Wikidata: Q82304869
• Mol file: 18102-21-1.mol

Synonyms:2,3,6-Trimethylaniline;18102-21-1;Benzenamine, 2,3,6-trimethyl-;2.3.6-Trimethylanilin;SCHEMBL394750;Benzenamine,2,3,6-trimethyl-;DTXSID30474750;FHMPFSKGDPKPDJ-UHFFFAOYSA-N;AMY28422;AKOS006342842;BS-45545;CS-0159889;A928969

Chemical Property of 2,3,6-Trimethylaniline

Chemical Property:

• PSA: 26.02000
• LogP: 2.77520
• 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:

≥99.0% ^*data from raw suppliers

2,3,6-Trimethylaniline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2,3,6-Trimethylaniline

There total 10 articles about 2,3,6-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: 93.0%

→ 2,3,6-trimethyl-aniline (18102-21-1)

Guidance literature:

Reference yield: 91.0%

2-hydroxy-N-(2,3,6-trimethylphenyl)propanamide → 2,3,6-trimethyl-aniline (18102-21-1)

Guidance literature:

With hydrogenchloride; In water; for 5h; Reflux;

Reference yield: 45.0%

2-(2,3,6-trimethylphenoxy)propanamide (68960-58-7) → 2,3,6-trimethyl-aniline (18102-21-1)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 140 ℃; for 16h; Green chemistry;

DOI:10.1016/j.tetlet.2013.04.028

upstream raw materials:

3-nitro-1,2,4-trimethylbenzene

methanol

2,3-Dimethylaniline

1,2,4-Trimethylbenzene

Downstream raw materials:

2,3,6-trimethylcyclohexylamine

C₁₂H₁₄N₂

α-(2,3,6-trimethylanilino)propionic acid methyl ester

3-[N-(2,3,6-trimethylphenyl)]-amino-tetrahydro-2-furanone

Refernces

• 1、 Yu, Jianzhong,Zhang, Peizhi,Wu, Jun,Shang, Zhicai. "Metal-free C-N bond-forming reaction: Straightforward synthesis of anilines, through cleavage of aryl C-O bond and amide C-N bond". supporting information. p. 3167 - 3170. Retrieved 2013/06/27.
• 2、 Sato,Fujima,Yamada. "Synthesis of trimethylhydroquinone from p-xylene.". . p. 442 - 444. Retrieved 2007/10/06.