Ethyl 4-vinylbenzoate

Base Information

• Chemical Name: Ethyl 4-vinylbenzoate
• CAS No.: 2715-43-7
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• DSSTox Substance ID: DTXSID00446363
• Nikkaji Number: J837.767G
• Wikidata: Q82264987
• Mol file: 2715-43-7.mol

Synonyms:ethyl 4-vinylbenzoate;2715-43-7;4-VINYL-BENZOIC ACID ETHYL ESTER;4-Vinylbenzoic acid ethyl ester;MFCD00017271;Ethyl 4-ethenylbenzoate;SCHEMBL1052411;DTXSID00446363;DYSXJBCEIBVGJU-UHFFFAOYSA-N;AKOS006283784;SY268513;CS-0450350;FT-0693332;S11889

Chemical Property of Ethyl 4-vinylbenzoate

Chemical Property:

• Vapor Pressure: 0.00696mmHg at 25°C
• Boiling Point: 270.1oC at 760 mmHg
• Flash Point: 122.5oC
• PSA: 26.30000
• Density: 1.037g/cm3
• LogP: 2.50630
• XLogP3: 3.4
• 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-Vinylbenzoicacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-vinylbenzoate

There total 29 articles about Ethyl 4-vinylbenzoate 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%

p-carboethoxybenzenediazonium tetrafluoroborate (348-06-1) + potassium vinyltrifluoroborate → ethyl 4-vinylbenzoate (2715-43-7)

Guidance literature:

With palladium diacetate; tris[4-(3',3',4',4',5',5',6',6',7',7',8',8',9',9',10',10',10'-heptadecafluorodecyl)phenyl]phosphane; In methanol; water; at 20 ℃;

DOI:10.1002/1099-0690(200103)2001:6<1121::AID-EJOC1121>3.0.CO;2-3

Reference yield: 97.0%

ethanol (64-17-5) + methyl 4-vinylbenzoate (1076-96-6) → ethyl 4-vinylbenzoate (2715-43-7)

Guidance literature:

ethanol; With platinum(IV) oxide; hydrogen; at 60 ℃; for 2h; under 750.075 - 1500.15 Torr; Autoclave; Green chemistry;

methyl 4-vinylbenzoate; at 60 ℃; chemoselective reaction; Autoclave; Inert atmosphere; Green chemistry;

DOI:10.1039/c8gc00500a

Reference yield: 93.0%

4-iodobenzoic acid ethyl ester (51934-41-9) + 1-Methyl-1-ethenylsilacyclobutane (3514-67-8) → ethyl 4-vinylbenzoate (2715-43-7)

Guidance literature:

With tetrabutyl ammonium fluoride; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1055/s-2000-6292

upstream raw materials:

C₁₁H₁₂N₂O₄

N-nitrosoacetanilide

4-iodobenzoic acid ethyl ester

tri-n-butyl(vinyl)tin

Downstream raw materials:

ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethenyl]-benzoate

ethyl(E)-4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)-naphthalen-2-yl)ethenyl]benzoate

ethyl (E)-4-[-2-(5,6-dihydro-5,5-dimethyl-8-(ethylthio)-naphthalen-2-yl)ethenyl]benzoate

ethyl (E)-4-[2-(5,6-tetrahydro-5,5-dimethyl-8-(propyliden-2-yl)-naphthalen-2-yl)ethenyl]-benzoate