2,2,4-Trimethylpentane-1,3-diyl diformate

Base Information

• Chemical Name: 2,2,4-Trimethylpentane-1,3-diyl diformate
• CAS No.: 5451-59-2
• Molecular Formula: C10H18 O4
• Molecular Weight: 202.251
• Hs Code.: 2915120000
• European Community (EC) Number: 226-684-2
• NSC Number: 21837
• UNII: 8JFJ3CN5C8
• DSSTox Substance ID: DTXSID401237468
• Nikkaji Number: J210.499G
• Mol file: 5451-59-2.mol

Synonyms:2,2,4-Trimethylpentane-1,3-diyl diformate;5451-59-2;8JFJ3CN5C8;AI3-30492;1,3-Pentanediol, 2,2,4-trimethyl-, diformate;EINECS 226-684-2;NSC-21837;(3-formyloxy-2,2,4-trimethylpentyl) formate;NSC21837;UNII-8JFJ3CN5C8;DTXSID401237468;NSC 21837;2,2,4-Trimethyl-1,3-pentanediol diformate;1,3-Pentanediol, 2,2,4-trimethyl-, 1,3-diformate

Chemical Property of 2,2,4-Trimethylpentane-1,3-diyl diformate

Chemical Property:

• Vapor Pressure: 0.0126mmHg at 25°C
• Boiling Point: 260°Cat760mmHg
• Flash Point: 119.7°C
• PSA: 52.60000
• Density: 1.002g/cm³
• LogP: 2.65500
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 202.12050905
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,4-Trimethylpentane-1,3-diyl diformate

There total 2 articles about 2,2,4-Trimethylpentane-1,3-diyl diformate 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:

2,2,4-trimethyl-1,3-pentanediol diisobutyrate (6846-50-0) → 2,2,4-trimethyl-1,3-pentanediol, diformate (5451-59-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / methanol

2: TsOH*H₂O / CHCl₃

With sodium hydroxide; toluene-4-sulfonic acid; In methanol; chloroform;

Reference yield:

formic acid (64-18-6) + 2,2,4-trimethylpentan-1,3-diol (144-19-4) → 2,2,4-trimethyl-1,3-pentanediol, diformate (5451-59-2)

Guidance literature:

With toluene-4-sulfonic acid; In chloroform;

upstream raw materials:

formic acid

2,2,4-trimethylpentan-1,3-diol

2,2,4-trimethyl-1,3-pentanediol diisobutyrate