4-Vinylbenzyl acetate

Base Information

• Chemical Name: 4-Vinylbenzyl acetate
• CAS No.: 1592-12-7
• Molecular Formula: C11H12 O2
• Molecular Weight: 176.215
• Hs Code.: 29163900
• European Community (EC) Number: 695-183-2
• DSSTox Substance ID: DTXSID20370611
• Nikkaji Number: J725.925E
• Wikidata: Q82157732
• Mol file: 1592-12-7.mol

Synonyms:4-VINYLBENZYL ACETATE;1592-12-7;(4-ethenylphenyl)methyl acetate;4-Vinylbenzylacetate;p-acetoxymethylstyrene;4-ethenylbenzenemethanol acetate;SCHEMBL1051823;DTXSID20370611;LEIKPUSDAWATBV-UHFFFAOYSA-N;MFCD00078265;AKOS016008947;AS-48046;FT-0692606;F17591

Chemical Property of 4-Vinylbenzyl acetate

Chemical Property:

• Vapor Pressure: 0.0194mmHg at 25°C
• Refractive Index: 1.535-1.538
• Boiling Point: 252.3°Cat760mmHg
• Flash Point: 110.7°C
• PSA: 26.30000
• Density: 1.047g/cm³
• LogP: 2.39270
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99%, ^*data from raw suppliers

4-Vinylbenzylacetate 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CC=C(C=C1)C=C

Technology Process of 4-Vinylbenzyl acetate

There total 5 articles about 4-Vinylbenzyl acetate 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: 99.0%

4-Vinylbenzyl chloride (1592-20-7,29296-32-0) + sodium acetate (127-09-3) → 4-acetoxymethylstyrene (1592-12-7)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In tetrahydrofuran; for 48h; Heating;

DOI:10.1016/j.tet.2005.05.108 DOI:10.1002/chem.200601197

Reference yield: 94.0%

4-Vinylbenzyl chloride (1592-20-7,29296-32-0) + potassium acetate (127-08-2) → 4-acetoxymethylstyrene (1592-12-7)

Guidance literature:

With acetic acid; for 7h; Heating;

DOI:10.1021/ma048091y

Reference yield:

4-acetoxymethyl-(1-(R,S)-acetoxyethyl)benzene (256449-39-5) → 4-acetoxymethylstyrene (1592-12-7)

Guidance literature:

With steam; at 475 - 500 ℃; under 25 - 30 Torr; Leiten ueber Silicagel;

DOI:10.1021/ja01200a017

upstream raw materials:

4-acetoxymethyl-(1-(R,S)-acetoxyethyl)benzene

4-Vinylbenzyl chloride

potassium acetate

sodium acetate

Downstream raw materials:

(4-vinyl-phenyl)-methanol

pyrrolo[1,2-b]pyridazine-5,6,7-tricarboxylic acid 5,6-dimethyl ester 7-(4-vinylbenzyl) ester

1-(bromomethyl)-4-vinylbenzene

4-(3,3,4,4,4-pentafluorobutyl)benzenemethanol acetate

Refernces

• 1、 Haubenreisser, Stefan,W?ste, Thorsten H.,Martnez, Claudio,Ishihara, Kazuaki,Muiz, Kilian. "Structurally Defined Molecular Hypervalent Iodine Catalysts for Intermolecular Enantioselective Reactions". supporting information. p. 413 - 417. Retrieved 2016/01/25.
• 2、 Jackson, Alexander W.,Fulton, David A.. "The formation of core cross-linked star polymers containing cores cross-linked by dynamic covalent imine bonds". supporting information; experimental part. p. 6051 - 6053. Retrieved 2010/11/02.