Oxiranecarboxylic acid, 3-methyl-3-(1-methylpropyl)-, methyl ester (9CI)

Base Information

• Chemical Name: Oxiranecarboxylic acid, 3-methyl-3-(1-methylpropyl)-, methyl ester (9CI)
• CAS No.: 72569-66-5
• Molecular Formula: C9H16 O3
• Molecular Weight: 172.224
• Mol file: 72569-66-5.mol

Synonyms:Hexanoicacid, 2,3-epoxy-3,4-dimethyl-, methyl ester (6CI); Oxiranecarboxylic acid,3-methyl-3-(1-methylpropyl)-, methyl ester (9CI); NSC 75865

Chemical Property of Oxiranecarboxylic acid, 3-methyl-3-(1-methylpropyl)-, methyl ester (9CI)

Chemical Property:

• Vapor Pressure: 0.639mmHg at 25°C
• Boiling Point: 187.2°C at 760 mmHg
• Flash Point: 68.6°C
• PSA: 38.83000
• Density: 1.019g/cm³
• LogP: 1.36300

Purity/Quality:

99% ^*data from raw suppliers

METHYL 3-SEC-BUTYL-3-METHYLGLYCIDATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of Oxiranecarboxylic acid, 3-methyl-3-(1-methylpropyl)-, methyl ester (9CI)

There total 2 articles about Oxiranecarboxylic acid, 3-methyl-3-(1-methylpropyl)-, methyl ester (9CI) 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:

methyl chloroacetate (96-34-4) + 3-methyl-pentan-2-one (565-61-7,55156-16-6) → 3-sec-butyl-3-methyl-oxirane-2-carboxylic acid methyl ester (72569-66-5)

Guidance literature:

With sodium methylate; In methanol; toluene; at 0 - 20 ℃; for 5h; Large scale;

Reference yield:

3-methylpent-3-en-2-one (565-62-8) → 3-sec-butyl-3-methyl-oxirane-2-carboxylic acid methyl ester (72569-66-5)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium on activated charcoal; hydrogen / 3.5 h / 85 °C / 7500.75 Torr / Large scale

2: sodium methylate / methanol; toluene / 5 h / 0 - 20 °C / Large scale

With palladium on activated charcoal; hydrogen; sodium methylate; In methanol; toluene;

Reference yield:

3-sec-butyl-3-methyl-oxirane-2-carboxylic acid methyl ester (72569-66-5) → 2,3-dimethylvaleraldehyde (32749-94-3,3944-76-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water / 80 - 90 °C / pH 2

2: 80 - 90 °C

With sodium hydroxide; In water;

upstream raw materials:

methyl chloroacetate

3-methyl-pentan-2-one

3-methylpent-3-en-2-one

Downstream raw materials:

2-sec-butyl-2-methyl-propane-1,3-diol

2,3-dimethylvaleraldehyde

Refernces

• 1、 -. "5-sec-butyl-2-(2,4-dimethyl-cyclohex-3-enyl)-5-methyl-[1,3]dioxane and process for making the same". Paragraph 0015. . Retrieved 2014/04/03.