N,N,2,6-Tetramethyl-4-cyanoaniline

Base Information

• Chemical Name: N,N,2,6-Tetramethyl-4-cyanoaniline
• CAS No.: 13012-16-3
• Molecular Formula: C₁₁H₁₄N₂
• Molecular Weight: 174.246
• DSSTox Substance ID: DTXSID20156351
• Nikkaji Number: J745.969F
• Wikidata: Q83024402
• Mol file: 13012-16-3.mol

Synonyms:N,N,2,6-Tetramethyl-4-cyanoaniline;4-(dimethylamino)-3,5-dimethylbenzonitrile;13012-16-3;4-DIMETHYLAMINO-3,5-DIMETHYL-BENZONITRILE;SCHEMBL4298151;DTXSID20156351;p-cyano-2,6,N,N-tetramethylaniline

Chemical Property of N,N,2,6-Tetramethyl-4-cyanoaniline

Chemical Property:

• Vapor Pressure: 9.26E-05mmHg at 25°C
• Boiling Point: 339.3°Cat760mmHg
• Flash Point: 149.9°C
• PSA: 27.03000
• Density: 1.01g/cm³
• LogP: 2.24108
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.115698455
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1N(C)C)C)C#N

Technology Process of N,N,2,6-Tetramethyl-4-cyanoaniline

There total 4 articles about N,N,2,6-Tetramethyl-4-cyanoaniline 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:

anti-4-Dimethylamino-2,6-dimethyl-benzylidenoxim (13012-12-9) → 4-(Dimethylamino)-2,6-dimethylbenzonitrile (13012-16-3)

Guidance literature:

With acetic anhydride; Heating;

DOI:10.1021/jo01282a047

Reference yield:

4-Dimethylamino-2,6-dimethylbenzaldoxim (201670-09-9) → 4-(Dimethylamino)-2,6-dimethylbenzonitrile (13012-16-3)

Guidance literature:

With acetic anhydride;

Reference yield:

4‐(dimethylamino)‐2,6‐dimethylbenzaldehyde (4980-19-2) → 4-(Dimethylamino)-2,6-dimethylbenzonitrile (13012-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine

2: acetic anhydride

With hydroxylamine; acetic anhydride;

upstream raw materials:

anti-4-Dimethylamino-2,6-dimethyl-benzylidenoxim

4-Dimethylamino-2,6-dimethylbenzaldoxim

4‐(dimethylamino)‐2,6‐dimethylbenzaldehyde