2-Methyl-2-butene-1,4-diyl diacetate

Base Information

• Chemical Name: 2-Methyl-2-butene-1,4-diyl diacetate
• CAS No.: 59054-99-8
• Molecular Formula: C9H14 O4
• Molecular Weight: 186.208
• European Community (EC) Number: 250-106-8,261-577-4,261-576-9
• DSSTox Substance ID: DTXSID301248026
• Nikkaji Number: J249.949E,J308.598H
• Mol file: 59054-99-8.mol

Synonyms:59054-99-8;2-Methyl-2-butene-1,4-diyl diacetate;30264-54-1;EINECS 261-576-9;EINECS 261-577-4;EINECS 250-106-8;2-Methyl-2-butene-1,4-diyl (E)-diacetate;2-Methyl-2-butene-1,4-diyl (Z)-diacetate;SCHEMBL8192773;SCHEMBL10533277;LJPNEMAMFITRSO-QPJJXVBHSA-N;DTXSID301248026;1,4-Diacetoxy-2-methyl-2-butene;(E)-2-methylbut-2-en-1,4-diyl diacetate;2-Methyl-2-butene-1,4-diyl(E)-diacetate;(E)-2-Methyl-2-butene-1,4-diol diacetate;2-Butene-1,4-diol, 2-methyl-, diacetate, (2E)-

Chemical Property of 2-Methyl-2-butene-1,4-diyl diacetate

Chemical Property:

• Vapor Pressure: 0.024mmHg at 25°C
• Boiling Point: 248.6°C at 760 mmHg
• Flash Point: 116.3°C
• PSA: 52.60000
• Density: 1.049g/cm³
• LogP: 1.05890
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 186.08920892
• Heavy Atom Count: 13
• Complexity: 218

Purity/Quality:

90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methyl-2-butene-1,4-diyl diacetate

There total 16 articles about 2-Methyl-2-butene-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:

potassium acetate (127-08-2) → (E)-1,4-diacetoxy-2-methyl-2-butene (59054-99-8,30264-54-1)

Guidance literature:

With acetic acid; at 110 ℃;

DOI:10.1021/ja01166a076

Reference yield:

potassium acetate (127-08-2) → (E)-1,4-diacetoxy-2-methyl-2-butene (59054-99-8,30264-54-1)

Guidance literature:

With acetic acid; Nicht ganz rein erhalten;

Reference yield:

acetic acid (64-19-7,77671-22-8) + isoprene (78-79-5,9003-31-0) → (E)-1,4-diacetoxy-2-methyl-2-butene (59054-99-8,30264-54-1) + 2-methyl-2-butene-1,4-diyl (Z)-diacetate (59055-00-4,30264-54-1)

Guidance literature:

With palladium diacetate; lithium acetate; p-benzoquinone; In pentane; for 30h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1021/jo00198a010

upstream raw materials:

4-bromo-3-methyl-2-buten-1-ol acetate

potassium acetate

acetic acid

isoprene

Downstream raw materials:

(E)-4-acetoxy-2-methylcrotonaldehyde

2-methylbut-2-enal