DL-A-HYDROXYVALERIC ACID ETHYL ESTER

Base Information

• Chemical Name: DL-A-HYDROXYVALERIC ACID ETHYL ESTER
• CAS No.: 16179-36-5
• Molecular Formula: C7H14 O3
• Molecular Weight: 146.186
• Hs Code.: 2915600000
• Mol file: 16179-36-5.mol

Synonyms:Valericacid, 2-hydroxyethyl ester (8CI); Ethylene glycol, monovalerate (8CI);2-Hydroxyethyl pentanoate; 2-Hydroxyethyl valerate

Chemical Property of DL-A-HYDROXYVALERIC ACID ETHYL ESTER

Chemical Property:

• Refractive Index: 1.4220
• Boiling Point: 190°C (estimate)
• PKA: 13.90±0.10(Predicted)
• PSA: 46.53000
• Density: 0.98 g/mL at 25 °C(lit.)
• LogP: 0.71210

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of DL-A-HYDROXYVALERIC ACID ETHYL ESTER

There total 4 articles about DL-A-HYDROXYVALERIC ACID ETHYL ESTER 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: 81.6%

1,4-dioxaspiro[4.4]nonane (176-32-9) + 1,2,4,5-tetracyanobenzene (712-74-3) → 2-Hydroxyethyl pentanoate (16179-36-5) + 5-[4-(2-Hydroxy-[1,3]dioxolan-2-yl)-butyl]-benzene-1,2,4-tricarbonitrile + 2-Hydroxyethyl 5-(2,4,5-tricyanophenyl)pentanoate

Guidance literature:

With water; In acetonitrile; for 2h; Irradiation;

DOI:10.1021/jo00084a021

Reference yield:

[1,3]-dioxolan-2-one (96-49-1) + butyl magnesium bromide (693-04-9) → tri-n-butyl-carbinol (597-93-3) + nonanone-5 (502-56-7) + 2-Hydroxyethyl pentanoate (16179-36-5)

Guidance literature:

In tetrahydrofuran; 2-methyltetrahydrofuran; at 20 ℃; Green chemistry;

DOI:10.1002/cssc.202100262

Reference yield:

[1,3]-dioxolan-2-one (96-49-1) + butyl magnesium bromide (693-04-9) → 5-nonanol (623-93-8) + tri-n-butyl-carbinol (597-93-3) + nonanone-5 (502-56-7) + 2-Hydroxyethyl pentanoate (16179-36-5)

Guidance literature:

In tetrahydrofuran; at 20 ℃; Green chemistry;

DOI:10.1002/cssc.202100262

upstream raw materials:

1,4-dioxaspiro[4.4]nonane

1,2,4,5-tetracyanobenzene

ethylene glycol

valeric acid

Downstream raw materials:

(15α,13E)-9-oxo-15-hydroxy-16-(4-fluorophenyl)-17,18,19,20-tetranor-5-thia-8-azaprost-13-enoic acid 2-pentanoyloxyethyl ester

butyl valerate

Refernces

• 1、 Sutter, Marc,Dayoub, Wissam,Metay, Estelle,Raoul, Yann,Lemaire, Marc. "Selective synthesis of 1-O-Alkyl(poly)glycerol ethers by catalytic reductive alkylation of carboxylic acids with a recyclable catalytic system". . p. 2397 - 2409. Retrieved 2013/02/23.