Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate

Base Information

• Chemical Name: Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate
• CAS No.: 10138-39-3
• Molecular Formula: C₁₁H₁₆O₃
• Molecular Weight: 196.246
• Hs Code.: 2932999099
• European Community (EC) Number: 654-349-4
• NSC Number: 97559
• DSSTox Substance ID: DTXSID10906100
• Nikkaji Number: J42.540K
• Mol file: 10138-39-3.mol

Synonyms:10138-39-3;Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate;prop-2-enyl 4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;7-Oxabicyclo[4.1.0]heptane-3-carboxylicacid,4-methyl-,2-propenylester(9CI);3,4-Epoxy-6-methylcyclohexanecarboxylic acid, allyl ester;Q6UCL3H8HW;NSC 97559;BRN 0148303;NSC-97559;3, allyl ester;NSC97559;UNII-Q6UCL3H8HW;7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, 4-methyl-, allyl ester;SCHEMBL3446900;DTXSID10906100;4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid allyl ester;WLN: T36 BOTJ EVO2U1 F1;7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, 4-methyl-, 2-propenyl ester;AKOS024332518;7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, allyl ester;allyl 4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 2-propenyl ester;prop-2-en-1-yl 4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate

Chemical Property of Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 0.00725mmHg at 25°C
• Refractive Index: 1.4830 (estimate)
• Boiling Point: 269.4°C at 760 mmHg
• Flash Point: 107.5°C
• PSA: 38.83000
• Density: 1.078g/cm³
• LogP: 1.52910
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 196.109944368
• Heavy Atom Count: 14
• Complexity: 249

Purity/Quality:

98%,99%, ^*data from raw suppliers

ALLYL 3,4-EPOXY-6-METHYLCYCLOHEXANECARBOXYLATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C(O2)CC1C(=O)OCC=C

Technology Process of Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate

There total 2 articles about Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate 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:

6-methyl-cyclohex-3-enecarboxylic acid allyl ester (10544-28-2) → 4,5-epoxy-2-methyl-cyclohexanecarboxylic acid allyl ester (10138-39-3)

Guidance literature:

With peracetic acid; ethyl acetate;

DOI:10.1021/ja01522a048

Reference yield:

6-methyl-cyclohex-3-enecarboxylic acid (5406-30-4) → 4,5-epoxy-2-methyl-cyclohexanecarboxylic acid allyl ester (10138-39-3)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid; benzene

2: peroxyacetic acid; acetone

With peracetic acid; toluene-4-sulfonic acid; acetone; benzene;

DOI:10.1021/ja01522a048

upstream raw materials:

6-methyl-cyclohex-3-enecarboxylic acid allyl ester

6-methyl-cyclohex-3-enecarboxylic acid