2-Cyano-3,3-dimethylbutanoic acid

Base Information

• Chemical Name: 2-Cyano-3,3-dimethylbutanoic acid
• CAS No.: 22426-28-4
• Molecular Formula: C₇H₁₁NO₂
• Molecular Weight: 141.17
• European Community (EC) Number: 854-956-6
• Mol file: 22426-28-4.mol

Synonyms:2-cyano-3,3-dimethylbutanoic acid;22426-28-4;SCHEMBL1336381;MFCD19228320;AKOS006375440;EN300-204277

Chemical Property of 2-Cyano-3,3-dimethylbutanoic acid

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 141.078978594
• Heavy Atom Count: 10
• Complexity: 182

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Cyano-3,3-dimethylbutanoic acid

There total 1 articles about 2-Cyano-3,3-dimethylbutanoic acid 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:

p-nitrophenyl 2-cyano-3,3-dimethylbutanoate (86834-68-6) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2-cyano-3,3-dimethylbutanoic acid (22426-28-4)

Guidance literature:

With water; In acetonitrile; at 30 ℃; Rate constant; Mechanism; other α-cyano esters, var. pH;

DOI:10.1021/jo00357a001

Reference yield: 20.0%

2-cyano-3,3-dimethylbutanoic acid (22426-28-4) + 4-cyanophenol (767-00-0) → 2-Cyano-3,3-dimethyl-butyric acid 4-cyano-phenyl ester (86834-67-5)

Guidance literature:

With trichlorophosphate; at 70 - 80 ℃; for 24h;

DOI:10.1021/jo00168a039

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2-cyano-3,3-dimethylbutanoic acid (22426-28-4) → p-nitrophenyl 2-cyano-3,3-dimethylbutanoate (86834-68-6)

Guidance literature:

With trichlorophosphate; at 70 - 80 ℃; for 24h;

DOI:10.1021/jo00168a039

upstream raw materials:

p-nitrophenyl 2-cyano-3,3-dimethylbutanoate

Downstream raw materials:

3,3-dimethyl-butyronitrile

p-nitrophenyl 2-cyano-3,3-dimethylbutanoate

2-Cyano-3,3-dimethyl-butyric acid 3-chloro-phenyl ester

2-Cyano-3,3-dimethyl-butyric acid 3-nitro-phenyl ester