1,4-Butanediol diacrylate

Base Information

• Chemical Name: 1,4-Butanediol diacrylate
• CAS No.: 52277-33-5
• Deprecated CAS: 119518-37-5,138790-64-4,1934258-70-4,118612-37-6
• Molecular Formula: C₁₀H₁₄O₄
• Molecular Weight: 198.219
• European Community (EC) Number: 213-979-6,825-520-2
• UNII: 53P6JR1A3R
• DSSTox Substance ID: DTXSID6044779
• Nikkaji Number: J82.104G
• Wikidata: Q27261123
• ChEMBL ID: CHEMBL3182145
• Mol file: 52277-33-5.mol

Synonyms:butanediol diacrylate

Chemical Property of 1,4-Butanediol diacrylate

Chemical Property:

• Boiling Point: 267.6°Cat760mmHg
• Flash Point: 126.2°C
• PSA: 52.60000
• Density: 1.039g/cm³
• LogP: 1.22500
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 198.08920892
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(=O)OCCCCOC(=O)C=C

Technology Process of 1,4-Butanediol diacrylate

There total 14 articles about 1,4-Butanediol diacrylate 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: 92.0%

→ 1,4-Butanediol diacrylate (1070-70-8,52277-33-5)

Guidance literature:

Reference yield: 81.0%

Butane-1,4-diol (110-63-4) + acryloyl chloride (814-68-6,25189-84-8) → 1,4-Butanediol diacrylate (1070-70-8,52277-33-5)

Guidance literature:

With triethylamine; In acetonitrile;

DOI:10.3390/molecules26216411

Reference yield:

Butane-1,4-diol (110-63-4) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 4-hydroxybutyl acrylate (2478-10-6,29086-87-1) + 1,4-Butanediol diacrylate (1070-70-8,52277-33-5)

Guidance literature:

With Novozyme 435; In tert-Amyl alcohol; at 50 ℃; for 120h; Inert atmosphere; Molecular sieve; Enzymatic reaction;

DOI:10.1016/j.molcatb.2009.09.008

upstream raw materials:

Butane-1,4-diol

acetylene

1,4-di(β-bromopropionylhydroxy)butane

acryloyl chloride

Refernces

• 1、 Akebi, Shin-Ya,Kato, Taito,Mashima, Kazushi,Nagae, Haruki,Oku, Tomoharu,Yonehara, Koji. "Runge-Kutta analysis for optimizing the Zn-catalyzed transesterification conditions of MA and MMA with diols to maximize monoesterified products". . p. 6975 - 6986. Retrieved 2021/11/17.
• 2、 Popescu, Dragos,Hoogenboom, Richard,Keul, Helmut,Moeller, Martin. "Hydroxy functional acrylate and methacrylate monomers prepared via lipase-catalyzed transacylation reactions". experimental part. p. 80 - 89. Retrieved 2010/08/20.