Ethyl 3-hydroxypropanoate

Base Information

• Chemical Name: Ethyl 3-hydroxypropanoate
• CAS No.: 623-72-3
• Molecular Formula: C5H10O3
• Molecular Weight: 118.133
• Hs Code.: 2918199090
• European Community (EC) Number: 695-619-1
• ChEMBL ID: CHEMBL3786150
• DSSTox Substance ID: DTXSID50512007
• Nikkaji Number: J24.767G
• Wikidata: Q47460511
• Mol file: 623-72-3.mol

Synonyms:ethyl 3-hydroxypropanoate;623-72-3;MFCD11652203;CHEMBL3786150;Propanoic acid, 3-hydroxy-, ethyl ester;Ethyl3-Hydroxypropanoate;methanol=ethyl acetate;SCHEMBL6403;DTXSID50512007;AMY20483;3-hydroxy-propanoic acid ethyl ester;BDBM50160405;AKOS005174194;DS-13821;SY008914;CS-0139545;FT-0683727;EN300-56124;A868487;Q47460511

Chemical Property of Ethyl 3-hydroxypropanoate

Chemical Property:

• Vapor Pressure: 0.175mmHg at 25°C
• Refractive Index: 1.423
• Boiling Point: 187.499oC at 760 mmHg
• PKA: 14.39±0.10(Predicted)
• Flash Point: 79.075oC
• PSA: 46.53000
• Density: 1.054g/cm3
• LogP: -0.06810
• Storage Temp.: 2-8°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 118.062994177
• Heavy Atom Count: 8
• Complexity: 70.1

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-hydroxypropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCO

Technology Process of Ethyl 3-hydroxypropanoate

There total 24 articles about Ethyl 3-hydroxypropanoate 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: 90.0%

ethanol (64-17-5) + glyceric acid (473-81-4,118916-26-0) → ethyl 3-hydroxypropanoate (623-72-3)

Guidance literature:

With 10% Ni/Al₂O₃; hydrogen; 10% MoO3/TiO2; for 20h; under 15001.5 Torr; Autoclave; Heating;

Reference yield: 70.0%

Ethyl 3-bromopropionate (539-74-2) → ethyl 3-hydroxypropanoate (623-72-3) + ethyl acrylate (140-88-5,9003-32-1)

Guidance literature:

With oxygen; tetraethylammonium perchlorate; In N,N-dimethyl-formamide; at 20 ℃; electroreduction at -1.1 V;

Reference yield: 67.24%

ethanol (64-17-5) + 3-hydroxypropionic acid (503-66-2) → ethyl 3-hydroxypropanoate (623-72-3)

Guidance literature:

With sulfuric acid; at 78 - 80 ℃; for 10h; under 760.051 Torr; Time;

upstream raw materials:

3-iodopropanoic acid

ethyl iodide

formaldehyd

1-ethoxyacetylene

Downstream raw materials:

3-Benzyloxy-2-(hydroxymethyl)propionsaeure-ethylester

trimethyleneglycol

acrylonitrile

Refernces

• 1、 -. "Producing method of 3-hydroxypropanoate". Paragraph 0031; 0032. . Retrieved 2019/05/15.
• 2、 Kinarivala, Nihar,Suh, Ji Ho,Botros, Mina,Webb, Paul,Trippier, Paul C.. "Pharmacophore elucidation of phosphoiodyn A - Potent and selective peroxisome proliferator-activated receptor β/δ agonists with neuroprotective activity". supporting information. p. 1889 - 1893. Retrieved 2016/04/05.