Diethyl glutarate

Base Information

• Chemical Name: Diethyl glutarate
• CAS No.: 818-38-2
• Molecular Formula: C9H16O4
• Molecular Weight: 188.224
• Hs Code.: 29171900
• European Community (EC) Number: 212-451-2
• NSC Number: 8890
• UNII: 84O6XW9RFE
• DSSTox Substance ID: DTXSID5061162
• Nikkaji Number: J34.942I
• Wikidata: Q27159522
• Metabolomics Workbench ID: 78644
• Mol file: 818-38-2.mol

Synonyms:diethyl glutarate;glutarate diethyl ester

Chemical Property of Diethyl glutarate

Chemical Property:

• Vapor Pressure: 0.0472mmHg at 25°C
• Melting Point: -24.1°C
• Refractive Index: n20/D 1.423(lit.)
• Boiling Point: 236.499 °C at 760 mmHg
• Flash Point: 96.111 °C
• PSA: 52.60000
• Density: 1.023 g/cm³
• LogP: 1.28290
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diethyl glutarate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: CCOC(=O)CCCC(=O)OCC
• Uses: Diethyl Glutarate has a role as a metabolite. It derives from a glutaric acid (G598000) an organic acid found in human urine which may be used for the detection of metabolic or other health disorders.

Technology Process of Diethyl glutarate

There total 27 articles about Diethyl 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: 91.0%

diethyl 2-acetylglutarate (1501-06-0) → Diethyl glutarate (818-38-2)

Guidance literature:

With methanol; sodium bromide; electrolysis;

DOI:10.1246/cl.1996.143

Reference yield: 90.0%

ethanol (64-17-5) + Glutaraminsaeureethylester (56703-79-8) → Diethyl glutarate (818-38-2)

Guidance literature:

With hydrogenchloride; titanium tetrachloride; for 10h; Heating;

DOI:10.1139/v94-022

Reference yield: 82.0%

ethanol (64-17-5) + 1,3-cylohexanedione (504-02-9) → Diethyl glutarate (818-38-2)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; In water; at 10 - 25 ℃;

DOI:10.1021/jo900226b

upstream raw materials:

1,5-pentanedioic acid

diethyl sulphite

ethanol

5-diazo-4-oxo-valeric acid ethyl ester

Downstream raw materials:

5-ethoxy-5-oxopentanoic acid

5-oxo-5-[4]pyridyl-valeric acid ethyl ester

7-phenyl-5,7-diketoheptanoic acid

1,9-diphenyl-nonane-1,3,7,9-tetraone

Refernces

• 1、 Bhatia, Shashi Kant,Choi, Tae-Rim,Choi, Yong-Keun,Gurav, Ranjit,Han, Yeong-Hoon,Kim, Hyun-Joong,Kim, Wooseong,Park, Kyungmoon,Park, See-Hyoung,Park, Ye-Lim,Song, Hun-Suk,Yang, Yung-Hun. "Simultaneous monitoring of the bioconversion from lysine to glutaric acid by ethyl chloroformate derivatization and gas chromatography-mass spectrometry". . . Retrieved 2020/04/15.
• 2、 -. "Preparation method of substituted butyrate derivatives". Paragraph 0129-0132. . Retrieved 2020/07/15.