2-Methylallyl acetate

Base Information

• Chemical Name: 2-Methylallyl acetate
• CAS No.: 820-71-3
• Molecular Formula: C6H10O2
• Molecular Weight: 114.144
• Hs Code.: 2915390090
• European Community (EC) Number: 212-471-1
• DSSTox Substance ID: DTXSID20231511
• Nikkaji Number: J548G
• Wikidata: Q22052652
• Mol file: 820-71-3.mol

Synonyms:Methallyl acetate;820-71-3;2-Methylallyl acetate;2-methylprop-2-en-1-yl acetate;Methallylacetate;2-Methyl-2-propenyl acetate;2-Propen-1-ol, 2-methyl-, acetate;2-methylprop-2-enyl acetate;EINECS 212-471-1;AI3-02670;beta-Methallyl acetate;Methyl4-tertbutylbenzoate;.beta.-Methallyl acetate;1-Acetoxy-2-methyl-2-propene;SCHEMBL1034236;Acetic acid, 2-methylallylester;2-Methyl-2-propenyl acetate #;Acetic Acid 2-Methylallyl Ester;Acetic acid 2-methyl-2-propenyl;DTXSID20231511;MFCD00048215;AKOS005175057;Acetic Acid 2-Methyl-2-propenyl Ester;LS-04787;CS-0187450;FT-0683953;D88456;J-521689;Q22052652

Chemical Property of 2-Methylallyl acetate

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 14.2mmHg at 25°C
• Refractive Index: 1.409
• Boiling Point: 122 °C at 760 mmHg
• Flash Point: 46.9 °C
• PSA: 26.30000
• Density: 0.906 g/cm³
• LogP: 1.12560
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

Methallyl acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 10-36/37/38:
• Hazard Codes: 10-36/37/38:
• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)COC(=O)C
• Uses: Monomer, preparation of methallyl derivatives.

Technology Process of 2-Methylallyl acetate

There total 21 articles about 2-Methylallyl acetate 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: 97.0%

acetic anhydride (108-24-7) + 3-hydroxy-2-methyl-1-propene (513-42-8) → methallyl acetate (820-71-3)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/chem.201800641

Reference yield: 92.0%

sodium acetate (127-09-3) + 3-Chloro-2-methylpropene (563-47-3) → methallyl acetate (820-71-3) + 3-hydroxy-2-methyl-1-propene (513-42-8)

Guidance literature:

With sodium D-gluconate; copper(II) sulfate; In water; for 4h; Reagent/catalyst; Reflux;

Reference yield: 88.0%

acetic acid (64-19-7,77671-22-8) + isobutene (115-11-7,15220-85-6) → methallyl acetate (820-71-3)

Guidance literature:

With oxygen; at 140 ℃; for 5h; under 15201 - 68404.6 Torr; Temperature; Pressure; Time; Autoclave; Inert atmosphere;

upstream raw materials:

1,2-dibromo-2-methyl-propane

sodium acetate

acetic anhydride

3-hydroxy-2-methyl-1-propene

Downstream raw materials:

2-methylhept-1-ene

2-methallyltrimethylsilane

trimethylsilyl acetate

triisopropyl phosphate

Refernces

• 1、 -. "Method for preparing 2-methyl-1, 3-propylene glycol from isobutene". Paragraph 0054-0056; 0058; 0064-0065; 0067-0068; 0070-0071;. . Retrieved 2021/02/10.
• 2、 Katsina, Tania,Sharma, Sachi Prem,Buccafusca, Roberto,Quinn, Derek J.,Moody, Thomas S.,Arseniyadis, Stellios. "Sequential Palladium-Catalyzed Allylic Alkylation/retro-Dieckmann Fragmentation Strategy for the Synthesis of α-Substituted Acrylonitriles". supporting information. p. 9348 - 9352. Retrieved 2019/11/20.