2'-Cyano-2,2-dimethylpropionanilide

Base Information

• Chemical Name: 2'-Cyano-2,2-dimethylpropionanilide
• CAS No.: 81102-88-7
• Molecular Formula: C₁₂H₁₄N₂O
• Molecular Weight: 202.256
• European Community (EC) Number: 666-442-7
• Mol file: 81102-88-7.mol

Synonyms:2'-CYANO-2,2-DIMETHYLPROPIONANILIDE;AKOS000176538

Chemical Property of 2'-Cyano-2,2-dimethylpropionanilide

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.110613074
• Heavy Atom Count: 15
• Complexity: 282

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C(=O)NC1=CC=CC=C1C#N

Technology Process of 2'-Cyano-2,2-dimethylpropionanilide

There total 2 articles about 2'-Cyano-2,2-dimethylpropionanilide 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: 54.0%

pivaloyl chloride (3282-30-2) + anthranilic acid nitrile (1885-29-6) → N-(2-cyanophenyl)pivalamide (81102-88-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 48h;

DOI:10.1002/adsc.201400763

Reference yield:

anthranilic acid nitrile (1885-29-6) → N-(2-cyanophenyl)pivalamide (81102-88-7)

Guidance literature:

In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1039/c8ob02421a

Reference yield: 51.0%

N-(2-cyanophenyl)pivalamide (81102-88-7) + phenylboronic acid (98-80-6) → 2-(tert-butyl)-4-phenylquinazoline

Guidance literature:

With [2,2]bipyridinyl; palladium diacetate; trifluoroacetic acid; In tetrahydrofuran; at 80 ℃; for 24h; Schlenk technique;

DOI:10.1039/c8ob02421a

upstream raw materials:

pivaloyl chloride

anthranilic acid nitrile

Downstream raw materials:

2-tert-butyl-4-morpholinoquinazoline

2-(tert-butyl)-4-chloroquinazoline