2,4-Diacetoxypentane

Base Information

• Chemical Name: 2,4-Diacetoxypentane
• CAS No.: 7371-86-0
• Molecular Formula: C9H16O4
• Molecular Weight: 188.224
• DSSTox Substance ID: DTXSID00994571
• Nikkaji Number: J488.480I
• Mol file: 7371-86-0.mol

Synonyms:2,4-Diacetoxypentane;7371-86-0;4-acetyloxypentan-2-yl acetate;pentane-2,4-diyl diacetate;3-(Acetyloxy)-1-methylbutyl acetate;pentane 2,4-diol diacetate;SCHEMBL10331178;DTXSID00994571;2,4-PENTANEDIOL DIACETATE;CUSIRZGMYUQIBF-UHFFFAOYSA-N;MFCD00043541;AKOS006272339;3-(Acetyloxy)-1-methylbutyl acetate #;4-(ACETYLOXY)PENTAN-2-YL ACETATE;FT-0609959

Chemical Property of 2,4-Diacetoxypentane

Chemical Property:

• Vapor Pressure: 0.0468mmHg at 25°C
• Refractive Index: 1.424
• Boiling Point: 236.7 °C at 760 mmHg
• Flash Point: 108 °C
• PSA: 52.60000
• Density: 1.018 g/cm³
• LogP: 1.27970
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

98%Min ^*data from raw suppliers

2,4-Diacetoxypentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C)OC(=O)C)OC(=O)C

Technology Process of 2,4-Diacetoxypentane

There total 5 articles about 2,4-Diacetoxypentane 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:

Isopropenyl acetate (108-22-5) + acetic anhydride (108-24-7) → 2,4-diacetoxy-pentane (7371-86-0)

Guidance literature:

Multistep reaction; (i) iBu₂AlH, PE, (ii) /BRN= 385737/;

Reference yield:

1,4-Pentadiene (591-93-5) → 2,4-diacetoxy-pentane (7371-86-0)

Guidance literature:

at 25 ℃;

Reference yield:

→ 2S,4S-2,4-Diacetoxypentan (7371-86-0,13051-33-7,13155-11-8,72345-24-5,78184-04-0)

Guidance literature:

Diol, Ac2O;

upstream raw materials:

Isopropenyl acetate

acetic anhydride

1,4-Pentadiene

Downstream raw materials:

Z-piperylene

1-methylbuta-1,3-diene

1,4-Pentadiene

penta-1,3-diene