Diisopropyl glutarate

Base Information

• Chemical Name: Diisopropyl glutarate
• CAS No.: 71340-46-0
• Molecular Formula: C₁₁H₂₀O₄
• Molecular Weight: 216.277
• European Community (EC) Number: 275-345-5
• NSC Number: 67891
• DSSTox Substance ID: DTXSID20221538
• Nikkaji Number: J294.968G
• Wikidata: Q65224961
• Mol file: 71340-46-0.mol

Synonyms:Diisopropyl glutarate;71340-46-0;EINECS 275-345-5;AI3-06041;diisopropylglutarate;Pentanedioic acid, bis(1-methylethyl) ester;isopropyl glutarate;NSC67891;Glutarsaure-diisopropylester;SCHEMBL18619;Glutaric acid, diisopropyl ester;bis(1-methylethyl) pentanedioate;DTXSID20221538;NSC 67891;NSC-67891;Q65224961

Chemical Property of Diisopropyl glutarate

Chemical Property:

• Vapor Pressure: 0.044mmHg at 25°C
• Boiling Point: 237.8°C at 760 mmHg
• Flash Point: 103.1°C
• PSA: 52.60000
• Density: 0.992g/cm³
• LogP: 2.05990
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 216.13615911
• Heavy Atom Count: 15
• 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)OC(=O)CCCC(=O)OC(C)C

Technology Process of Diisopropyl glutarate

There total 3 articles about Diisopropyl glutarate 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: 45.0%

2-methylcyclohexane-1,3-dione (1193-55-1) + isopropyl alcohol (67-63-0,8013-70-5) → diisopropyl glutarate (71340-46-0) + glutaric acid monoisopropyl ester (53594-71-1)

Guidance literature:

With potassium peroxomonosulfate; at 20 ℃; for 18h;

DOI:10.1021/jo048665x

Reference yield:

→ diisopropyl glutarate (71340-46-0) + adipic acid diisopropyl ester (6938-94-9,121879-14-9) + 2-propanyl 6-hydroxyhexanoate (32818-35-2)

Guidance literature:

Reference yield:

carbon monoxide (201230-82-2) + allyl alcohol (107-18-6) + isopropyl alcohol (67-63-0,8013-70-5) → diisopropyl glutarate (71340-46-0) + diisopropyl 2-methylbutanedioate

Guidance literature:

With hydrogenchloride; palladium(II) acetylacetonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In diethyl ether; toluene; at 105 ℃; for 24h; under 30003 Torr; Overall yield = 91 %; Inert atmosphere; Autoclave;

upstream raw materials:

2-methylcyclohexane-1,3-dione

isopropyl alcohol

carbon monoxide

allyl alcohol

Refernces

• 1、 -. "CYCLOHEXANE OXIDATION PROCESS BYPRODUCT DERIVATIVES AND METHODS FOR USING THE SAME". Page/Page column 50-51. . Retrieved 2010/08/05.