(E)-3-Formylbut-2-endiyl diacetate

Base Information

• Chemical Name: (E)-3-Formylbut-2-endiyl diacetate
• CAS No.: 56269-66-0
• Molecular Formula: C9H12 O5
• Molecular Weight: 200.191
• European Community (EC) Number: 260-084-1
• DSSTox Substance ID: DTXSID901253956
• Nikkaji Number: J296.624G,J309.624F
• Mol file: 56269-66-0.mol

Synonyms:(E)-3-Formylbut-2-endiyl diacetate;EINECS 260-084-1;56269-66-0;SCHEMBL4795861;DTXSID901253956;4,4-Bis(acetyloxy)-2-methyl-2-butenal;2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (E)-;Diacetic acid (E)-3-methyl-4-oxo-2-butenylidene ester

Chemical Property of (E)-3-Formylbut-2-endiyl diacetate

Chemical Property:

• Vapor Pressure: 0.00118mmHg at 25°C
• Boiling Point: 299.6°C at 760 mmHg
• Flash Point: 130.3°C
• PSA: 69.67000
• Density: 1.142g/cm³
• LogP: 0.58390
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 200.06847348
• Heavy Atom Count: 14
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (E)-3-Formylbut-2-endiyl diacetate

There total 4 articles about (E)-3-Formylbut-2-endiyl diacetate 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:

2-methyl-1,4-diacetoxy-buta-1,3-diene (55378-59-1) → 2-methyl-4,4-diacetoxy-but-2-enal (56269-66-0)

Guidance literature:

Reference yield:

3-(acetoxymetinyl)but-1-en-1-ol acetate (68963-18-8) → 2-methyl-4,4-diacetoxy-but-2-enal (56269-66-0) + (Z)-2-Methyl-2,4-diacetoxy-but-3-enal (88543-52-6) + 2-methyl-2,4-diacetoxy-but-3-enal (88543-51-5) + Acetic acid (Z)-1-acetoxy-3-methyl-4-oxo-but-2-enyl ester (101513-14-8)

Guidance literature:

With peracetic acid; Amberlite; In acetic acid; at 100 ℃; for 0.166667h; Yield given. Further byproducts given. Yields of byproduct given;

Reference yield:

3-(acetoxymetinyl)but-1-en-1-ol acetate (68963-18-8) → 2-methyl-4,4-diacetoxy-but-2-enal (56269-66-0) + Acetic acid (E)-1-acetoxy-2-methyl-4-oxo-but-2-enyl ester (112549-36-7) + 2-methyl-2,4-diacetoxy-but-3-enal (88543-51-5) + Acetic acid (Z)-1-acetoxy-3-methyl-4-oxo-but-2-enyl ester (101513-14-8)

Guidance literature:

With peracetic acid; In acetic acid; at 100 ℃; for 0.166667h; Yield given. Further byproducts given. Yields of byproduct given;

upstream raw materials:

3-(acetoxymetinyl)but-1-en-1-ol acetate

2-methyl-1,4-diacetoxy-buta-1,3-diene

Refernces

• 1、 -. "Preparation of 2-alkyl-4,4-diacyloxybut-2-enals". . . Retrieved 2008/06/13.