4-Methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one

Base Information

• Chemical Name: 4-Methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one
• CAS No.: 50650-75-4
• Molecular Formula: C14H22O2
• Molecular Weight: 222.327
• Hs Code.: 2932999099
• Mol file: 50650-75-4.mol

Synonyms:4-Methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one;2H-Pyran-2-one,4-methyl-6-(2,4,4-trimethylpentyl);4-METHYL-6-(2,4,4-TRIMETHYLPENTYL)-2-PYRONE;Piroctone related compound B;UNII-65V4CH23S0;

Chemical Property of 4-Methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one

Chemical Property:

• Vapor Pressure: 0.000216mmHg at 25°C
• Boiling Point: 326.4oC at 760 mmHg
• Flash Point: 134.8oC
• PSA: 30.21000
• Density: 0.951g/cm3
• LogP: 3.56300
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)

Purity/Quality:

99.9% ^*data from raw suppliers

4-Methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one is used in the synthesis of antibacterials and antimycotics. Related to Piroctone (P509400), an anti-dandruff agent used in shampoo formulations. Piroctone USP Related Compound B

Technology Process of 4-Methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one

There total 3 articles about 4-Methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one 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: 96.8%

3,7,9,9-tetramethyl-2-decen-5-onic acid methyl ester → 4-methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one (50650-75-4)

Guidance literature:

With sulfuric acid; In water; for 5h; Time; Reflux;

Reference yield:

Methyl 3,3-dimethylacrylate (924-50-5) → 4-methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one (50650-75-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride; tin(IV) chloride / 5 h / 40 °C / Cooling with ice; Reflux

2: sulfuric acid / water / 5 h / Reflux

With aluminum (III) chloride; sulfuric acid; tin(IV) chloride; In water;

Reference yield:

isononanoyl chloride (36727-29-4) → 4-methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one (50650-75-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride; tin(IV) chloride / 5 h / 40 °C / Cooling with ice; Reflux

2: sulfuric acid / water / 5 h / Reflux

With aluminum (III) chloride; sulfuric acid; tin(IV) chloride; In water;

upstream raw materials:

Methyl 3,3-dimethylacrylate

isononanoyl chloride

Downstream raw materials:

6-(2,4,4-trimethylpentyl)-1-hydroxy-4-methyl-2(1H)-pyridone

Refernces

• 1、 -. "Synthetic method 4 - methyl - (2, 4, 4 -trimethylpentyl) - 2H - pyran -2 - ketone". Paragraph 0028; 0030-0031; 0033-0034; 0036-0037; 0039; .... . Retrieved 2021/10/13.
• 2、 -. "4-methyl-6-(2,4,4-trimethylpentyl)-2-pyrone preparation method". Paragraph 0017; 0019-0021; 0023-0025; 0027; 0028. . Retrieved 2020/03/02.