4-(Acetyloxy)-3-[(acetyloxy)methyl]-2-methylidenebutyl acetate

Base Information

• Chemical Name: 4-(Acetyloxy)-3-[(acetyloxy)methyl]-2-methylidenebutyl acetate
• CAS No.: 91766-36-8
• Molecular Formula: C₁₂H₁₈O₆
• Molecular Weight: 258.271
• NSC Number: 122113
• DSSTox Substance ID: DTXSID70298270
• Wikidata: Q82039984
• Mol file: 91766-36-8.mol

Synonyms:91766-36-8;4-(acetyloxy)-3-[(acetyloxy)methyl]-2-methylidenebutyl acetate;NSC122113;DTXSID70298270;NSC-122113

Chemical Property of 4-(Acetyloxy)-3-[(acetyloxy)methyl]-2-methylidenebutyl acetate

Chemical Property:

• Vapor Pressure: 0.000209mmHg at 25°C
• Boiling Point: 326.9°C at 760 mmHg
• Flash Point: 140.4°C
• Density: 1.111g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 258.11033829
• Heavy Atom Count: 18
• Complexity: 316

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC(COC(=O)C)C(=C)COC(=O)C

Technology Process of 4-(Acetyloxy)-3-[(acetyloxy)methyl]-2-methylidenebutyl acetate

There total 5 articles about 4-(Acetyloxy)-3-[(acetyloxy)methyl]-2-methylidenebutyl 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:

tetraethyl ethane-1,1,2,2-tetracarboxylate (632-56-4) → 2,3-Bisacetoxymethyl-3-butenylacetat (91766-36-8)

Guidance literature:

Multi-step reaction with 3 steps

1: lithium alanate; diethyl ether

2: acetic acid

3: 480 °C

With lithium aluminium tetrahydride; diethyl ether; acetic acid;

DOI:10.1021/ja01591a071

Reference yield:

1,4-diacetoxy-2,3-bis-acetoxymethyl-butane (92373-16-5) → 2,3-dimethylenebutane-1,4-diyl diacetate (17637-48-8) + 2,3-Bisacetoxymethyl-3-butenylacetat (91766-36-8)

Guidance literature:

at 480 ℃; Pyrolysis;

DOI:10.1021/ja01591a071

Reference yield:

1,1,2,2-tetrahydroxymethylethane (5373-21-7) → 2,3-Bisacetoxymethyl-3-butenylacetat (91766-36-8)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid

2: 480 °C

With acetic acid;

DOI:10.1021/ja01591a071

upstream raw materials:

1,4-diacetoxy-2,3-bis-acetoxymethyl-butane

tetraethyl ethane-1,1,2,2-tetracarboxylate

acetic anhydride

1,1,2,2-tetrahydroxymethylethane