Ethyl hydrogen glutarate

Base Information

• Chemical Name: Ethyl hydrogen glutarate
• CAS No.: 1070-62-8
• Molecular Formula: C7H12O4
• Molecular Weight: 160.17
• Hs Code.: 2918990090
• European Community (EC) Number: 213-977-5
• DSSTox Substance ID: DTXSID20147865
• Nikkaji Number: J217.184H
• Wikidata: Q83013271
• Mol file: 1070-62-8.mol

Synonyms:Ethyl hydrogen glutarate;1070-62-8;5-ethoxy-5-oxopentanoic acid;Glutaric Acid Monoethyl Ester;MONOETHYL GLUTARATE;EINECS 213-977-5;MFCD00014379;Pentanedioic acid, monoethyl ester;AI3-06343;Ethyl glutarate,mono;SCHEMBL395290;Pentanedioic acid 1-ethyl ester;Pentanedioic acid,1-ethyl ester;Pentanedioic acid monoethyl ester;AMY3769;DTXSID20147865;BAA07062;AKOS009031518;AS-10455;BP-13014;SY036401;CS-0151584;FT-0625775;G0271;EN300-20260;A801567;J-521249

Chemical Property of Ethyl hydrogen glutarate

Chemical Property:

• Vapor Pressure: 0.00103mmHg at 25°C
• Melting Point: 7-8 °C
• Refractive Index: 1.4365
• Boiling Point: 280 °C at 760 mmHg
• PKA: 4.63±0.10(Predicted)
• Flash Point: 112.5 °C
• PSA: 63.60000
• Density: 1.126 g/cm³
• LogP: 0.80440
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 160.07355886
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

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

EthylHydrogenGlutarate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/38:Irritating to eyes and skin.
• Hazard Codes: R36/38:Irritating to eyes and skin.
• Statements: 36/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCC(=O)O

Technology Process of Ethyl hydrogen glutarate

There total 14 articles about Ethyl hydrogen 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: 88.0%

Glutarsaeure-ethyl-tert.-butylester (64562-04-5) → 5-ethoxy-5-oxopentanoic acid (1070-62-8)

Guidance literature:

With cerium(III) chloride; sodium iodide; In acetonitrile; for 3h; Heating;

DOI:10.1021/jo010010y

Reference yield: 76.0%

3-ethoxy-2-methyl-2-cyclohexen-1-one (20643-20-3) → 5-ethoxy-5-oxopentanoic acid (1070-62-8)

Guidance literature:

With ozone; In methanol; at -70 ℃;

Reference yield: 66.0%

Ethyl 4-bromobutyrate (2969-81-5) + carbon dioxide (124-38-9,18923-20-1) → 5-ethoxy-5-oxopentanoic acid (1070-62-8)

Guidance literature:

Ethyl 4-bromobutyrate; With lithium chloride; zinc;

carbon dioxide; With lithium chloride; In N,N-dimethyl-formamide; at 50 ℃; for 24h; under 760.051 Torr;

With hydrogenchloride; water; In N,N-dimethyl-formamide;

DOI:10.1021/ol900528h

upstream raw materials:

glutaric anhydride,

ethanol

sodium ethanolate

1,5-pentanedioic acid

Downstream raw materials:

isomargaric acid

21-methyldocosanoic acid

5-oxo-5-(2,4,5-trimethoxy-phenyl)-valeric acid

diethyl suberate

Refernces

• 1、 Cohen,Crossley. "-". . p. 1217,1220. Retrieved 1964.
• 2、 -. "INDAZOLE COMPOUNDS". Page/Page column 29. . Retrieved 2012/03/26.
• 3、 Yan, Jun,Travis, Benjamin R.,Borhan, Babak. "Direct oxidative cleavage of α- and β-dicarbonyls and α-hydroxyketones to diesters with KHSO5". . p. 9299 - 9302. Retrieved 2007/10/03.