4-Methyl-3-oxohexanenitrile

Base Information

• Chemical Name: 4-Methyl-3-oxohexanenitrile
• CAS No.: 42124-66-3
• Molecular Formula: C₇H₁₁NO
• Molecular Weight: 125.17
• European Community (EC) Number: 865-047-9
• Mol file: 42124-66-3.mol

Synonyms:4-methyl-3-oxohexanenitrile;42124-66-3;SCHEMBL9178499;MFCD11187386;AKOS008118361;SY268672;EN300-64198;G25949;Z360167402

Chemical Property of 4-Methyl-3-oxohexanenitrile

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 125.084063974
• Heavy Atom Count: 9
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

4-METHYL-3-OXOHEXANENITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(=O)CC#N

Technology Process of 4-Methyl-3-oxohexanenitrile

There total 3 articles about 4-Methyl-3-oxohexanenitrile 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:

(Z)-3-Butylamino-4-methyl-hex-3-enenitrile (42124-43-6) → 3-oxo-4-methylhexanonitrile (42124-66-3)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/P19730001108

Reference yield:

4-methyl-hexa-2,3-dienenitrile (2861-05-4) → 3-oxo-4-methylhexanonitrile (42124-66-3)

Guidance literature:

Multi-step reaction with 2 steps

2: aq. HCl

With hydrogenchloride;

DOI:10.1039/P19730001108

Reference yield:

→ 3-oxo-4-methylhexanonitrile (42124-66-3)

Guidance literature:

aus 1-Cyan-2-diethylamino-3-methylpenten-2;

DOI:10.1039/c19660000322

upstream raw materials:

(Z)-3-Butylamino-4-methyl-hex-3-enenitrile

4-methyl-hexa-2,3-dienenitrile