2-Propenoic acid, 2-hydroxybutyl ester

Base Information

• Chemical Name: 2-Propenoic acid, 2-hydroxybutyl ester
• CAS No.: 2421-27-4
• Molecular Formula: C7H12 O3
• Molecular Weight: 144.17
• Hs Code.: 2916129000
• DSSTox Substance ID: DTXSID40883718
• Nikkaji Number: J175.500E
• Mol file: 2421-27-4.mol

Synonyms:2-Propenoic acid, 2-hydroxybutyl ester;2421-27-4;2-hydroxybutyl prop-2-enoate;2-hydroxybutyl acrylate;2-Propenoic acid,2-hydroxybutyl ester;1,2-Butanediol 1-acrylate;SCHEMBL34872;DTXSID40883718

Chemical Property of 2-Propenoic acid, 2-hydroxybutyl ester

Chemical Property:

• Vapor Pressure: 0.0254mmHg at 25°C
• Boiling Point: 219.2°Cat760mmHg
• Flash Point: 87.2°C
• PSA: 60.36000
• Density: 1.025g/cm³
• LogP: -0.54650
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(COC(=O)C=C)O

Technology Process of 2-Propenoic acid, 2-hydroxybutyl ester

There total 3 articles about 2-Propenoic acid, 2-hydroxybutyl 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: 94.0%

ethyloxirane (106-88-7) + acrylic acid (79-10-7) → 2-hydroxybutyl acrylate (2421-27-4)

Guidance literature:

phtalic acid bis-2,2,6,6-tetramethyl-4-hydroxy-1-oxylpiperidyl ester; at 120 ℃; for 5h;

DOI:10.1007/BF00961991

Reference yield:

ethyloxirane (106-88-7) + acrylic acid (79-10-7) → 2-hydroxybutyl acrylate (2421-27-4) + 1-hydroxybutan-2-yl acrylate (121733-80-0)

Guidance literature:

With pyridine; iron(III) chloride; at 20 ℃; for 2.33333h; Overall yield = 58 %; Overall yield = 11.5 g; Inert atmosphere;

DOI:10.1002/anie.201809614

Reference yield:

→ 1,2-butylene oxide, 2-hydroxypropyl acrylate + 2-hydroxybutyl acrylate (2421-27-4)

Guidance literature:

upstream raw materials:

ethyloxirane

acrylic acid

Downstream raw materials:

2-({[3-(Methylsulphanyl)phenyl]carbamoyl}oxy)butyl prop-2-enoate

Refernces

• 1、 Radugina, A. A.,Bocharova, I. V.,Matkovskii, P. E.,Golubev, V. A.,Brikenshtein, Kh.-M. A.. "ESTERIFICATION ON ACRYLIC AND METHACRYLIC ACIDS WITH OLEFIN OXIDES CATALYZED BY NITROXYL RADICALS". . p. 2083 - 2086. Retrieved 2007/10/02.