(1E,3E)-2-Methylbuta-1,3-diene-1,4-diyl diacetate

Base Information

• Chemical Name: (1E,3E)-2-Methylbuta-1,3-diene-1,4-diyl diacetate
• CAS No.: 52884-86-3
• Molecular Formula: C9H12 O4
• Molecular Weight: 184.192
• Hs Code.: 2915390090
• European Community (EC) Number: 258-234-6,273-419-1
• DSSTox Substance ID: DTXSID301220006
• Nikkaji Number: J295.824D,J310.651I
• Mol file: 52884-86-3.mol

Synonyms:52884-86-3;EINECS 258-234-6;(1E,3E)-2-Methylbuta-1,3-diene-1,4-diyl diacetate;68963-18-8;DTXSID301220006;2-Methyl-1,3-butadiene-1,4-diol diacetate;1,3-Butadiene-1,4-diol, 2-methyl-, diacetate, (E,E)-;Diacetic acid (1E,3E)-2-methyl-1,3-butadiene-1,4-diyl ester

Chemical Property of (1E,3E)-2-Methylbuta-1,3-diene-1,4-diyl diacetate

Chemical Property:

• Vapor Pressure: 0.0703mmHg at 25°C
• Boiling Point: 229.2°Cat760mmHg
• Flash Point: 105.1°C
• PSA: 52.60000
• Density: 1.076g/cm³
• LogP: 1.53010
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 184.07355886
• Heavy Atom Count: 13
• 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(=COC(=O)C)C=COC(=O)C
• Isomeric SMILES: C/C(=C\OC(=O)C)/C=C/OC(=O)C

Technology Process of (1E,3E)-2-Methylbuta-1,3-diene-1,4-diyl diacetate

There total 3 articles about (1E,3E)-2-Methylbuta-1,3-diene-1,4-diyl 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:

(E)-4-acetoxy-2-methylcrotonaldehyde (26586-02-7) + acetic anhydride (108-24-7) → (E,E)-1,4-Diacetoxy-2-methyl-1,3-butadien (52884-86-3)

Guidance literature:

With potassium acetate; acetic acid; at 110 - 115 ℃;

DOI:10.1021/jo00877a024

Reference yield:

Acetic acid (1R,2S,3S,4S,5R,6S)-4-acetoxy-2-methyl-tricyclo[4.2.1.02,5]non-7-en-3-yl ester → (E,E)-1,4-Diacetoxy-2-methyl-1,3-butadien (52884-86-3)

Guidance literature:

at 460 ℃; under 25 Torr;

DOI:10.1039/C3974000956b

Reference yield:

Acetic acid (1R,2S,3S,4S,5R,6S)-4-acetoxy-2-methyl-tricyclo[4.2.1.02,5]non-7-en-3-yl ester → (E,E)-1,4-Diacetoxy-2-methyl-1,3-butadien (52884-86-3) + 2-methyl-1,4-diacetoxy-buta-1,3-diene (55378-59-1)

Guidance literature:

at 460 ℃; under 25 Torr;

DOI:10.1039/C3974000956b

upstream raw materials:

(E)-4-acetoxy-2-methylcrotonaldehyde

acetic anhydride

Downstream raw materials:

cis-1,4-Diacetoxy-2-methyl-2-cylohexene