Diisopropyl oxalate

Base Information

• Chemical Name: Diisopropyl oxalate
• CAS No.: 615-81-6
• Molecular Formula: C8H14O4
• Molecular Weight: 174.197
• European Community (EC) Number: 210-448-0
• NSC Number: 4877
• UNII: 2C979BWD6T
• DSSTox Substance ID: DTXSID70210477
• Nikkaji Number: J43.451E
• Wikidata: Q65224962
• Mol file: 615-81-6.mol

Synonyms:Diisopropyl oxalate;615-81-6;dipropan-2-yl oxalate;Ethanedioic acid, bis(1-methylethyl) ester;AI3-11244;diisopropyloxalate;NSC-4877;EINECS 210-448-0;isopropyl oxalate;bis(propan-2-yl) oxalate;SCHEMBL297916;2C979BWD6T;DTXSID70210477;NSC4877;NSC 4877;OXALIC ACID DIISOPROPYL ESTER;AKOS025296041;Ethanedioic acid, 1,2-bis(1-methylethyl) ester;Q65224962;Z104475822

Chemical Property of Diisopropyl oxalate

Chemical Property:

• Vapor Pressure: 0.339mmHg at 25°C
• Melting Point: -30 °C
• Refractive Index: 1.419
• Boiling Point: 199.6°C at 760 mmHg
• Flash Point: 75.3°C
• PSA: 52.60000
• Density: 1.034g/cm³
• LogP: 0.88960
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diisopropyl oxalate

There total 17 articles about Diisopropyl oxalate 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: 95.0%

N,N'-diacetyl-oxalamide (40227-15-4) → diisopropyl oxalate (615-81-6)

Guidance literature:

With sodium methylate;

Reference yield: 95.0%

diacetyloxamide → diisopropyl oxalate (615-81-6)

Guidance literature:

With sodium methylate;

Reference yield: 92.0%

oxalyl dichloride (79-37-8) + isopropyl alcohol (67-63-0,8013-70-5) → diisopropyl oxalate (615-81-6)

Guidance literature:

at 0 - 20 ℃; for 12h;

upstream raw materials:

oxalic acid

isopropyl alcohol

oxalic acid diethyl ester

oxalyl dichloride

Downstream raw materials:

2,4,6-trimethyl-mandelic acid-isopropyl ester

isopropyl 2,4-dioxovalerate

Dimethyl oxalate

isopropyl decachlorobenzilate

Refernces

• 1、 Aikawa, Kohsuke,Yabuuchi, Kohei,Torii, Kota,Mikami, Koichi. "Copper-catalyzed asymmetric methylation of fluoroalkylated pyruvates with dimethylzinc". supporting information. p. 576 - 582. Retrieved 2018/03/21.
• 2、 More, Pavan M.,Umbarkar, Shubhangi B.,Dongare, Mohan K.. "Template-free sol–gel synthesis of high surface area mesoporous silica based catalysts for esterification of di-carboxylic acids". . p. 1247 - 1253. Retrieved 2016/10/13.