3-Methylbut-2-enyl 2-methylisocrotonate

Base Information

• Chemical Name: 3-Methylbut-2-enyl 2-methylisocrotonate
• CAS No.: 83783-82-8
• Molecular Formula: C₁₀H₁₆O₂
• Molecular Weight: 168.236
• European Community (EC) Number: 280-816-3
• DSSTox Substance ID: DTXSID201241358
• Nikkaji Number: J213.493D
• Mol file: 83783-82-8.mol

Synonyms:83783-82-8;Prenyl angelate;3-Methylbut-2-enyl 2-methylisocrotonate;EINECS 280-816-3;3-METHYLBUT-2-EN-1-YL (2Z)-2-METHYLBUT-2-ENOATE;2-Butenoic acid,2-methyl-, 3-methyl-2-buten-1-yl ester, (2Z)-;3-methylbut-2-enyl (Z)-2-methylbut-2-enoate;3-methyl-2-butenyl angelate;2-Butenoic acid, 2-methyl-, 3-methyl-2-butenyl ester, (2Z)-;2-Butenoic acid, 2-methyl-, 3-methyl-2-butenyl ester, (Z)-;SCHEMBL873417;WTDWXMWAIMIKSI-UITAMQMPSA-N;DTXSID201241358;EN300-365514;2-Methylisocrotonic acid 3-methyl-2-butenyl ester;3-Methyl-2-buten-1-yl (2Z)-2-methyl-2-butenoate;3-METHYLBUT-2-EN-1-YL(2Z)-2-METHYLBUT-2-ENOATE

Chemical Property of 3-Methylbut-2-enyl 2-methylisocrotonate

Chemical Property:

• Vapor Pressure: 0.127mmHg at 25°C
• Boiling Point: 218.2°C at 760 mmHg
• Flash Point: 88.4°C
• PSA: 26.30000
• Density: 0.914g/cm³
• LogP: 2.46200
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OCC=C(C)C
• Isomeric SMILES: C/C=C(/C)\C(=O)OCC=C(C)C

Technology Process of 3-Methylbut-2-enyl 2-methylisocrotonate

There total 1 articles about 3-Methylbut-2-enyl 2-methylisocrotonate 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: 99.8%

dioctyltin dilaurate + methyl 2-methylbut-2-enoate (41725-90-0) + 3-methyl-2-buten-1-ol (556-82-1) → 3-methyl-2-butenyl angelate (765300-33-2,83783-82-8,83783-86-2)

Guidance literature:

In toluene;

upstream raw materials:

methyl 2-methylbut-2-enoate

3-methyl-2-buten-1-ol

Refernces