3-Vinylbenzoic acid ethyl ester

Base Information

Chemical Name:3-Vinylbenzoic acid ethyl ester
CAS No.:33745-48-1
Molecular Formula:C11H12O2
Molecular Weight:176.215
Hs Code.:2916399090
DSSTox Substance ID:DTXSID30573030
Nikkaji Number:J1.364.235D
Wikidata:Q82461592
Mol file:33745-48-1.mol

Synonyms:33745-48-1;3-Vinylbenzoic acid ethyl ester;Ethyl 3-ethenylbenzoate;3-VINYL BENZOIC ACID ETHYL ESTER;Ethyl 3-vinylbenzoate;Ethyl3-vinylbenzoate;SCHEMBL1506219;DTXSID30573030;MFCD06204762;AKOS006294730;CS-W004199;AS-47592;F14502

Suppliers and Price of 3-Vinylbenzoic acid ethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Rieke Metals
3-Vinylbenzoicacidethylester
5g
$ 1728.00

Rieke Metals
3-Vinylbenzoicacidethylester
1g
$ 661.00

Crysdot
Ethyl3-vinylbenzoate 97%
1g
$ 488.00

American Custom Chemicals Corporation
3-VINYL BENZOIC ACID ETHYL ESTER 95.00%
5MG
$ 497.95

Alichem
Ethyl3-vinylbenzoate
1g
$ 539.55

Total 10 raw suppliers

Chemical Property of 3-Vinylbenzoic acid ethyl ester

Chemical Property:

PSA：26.30000
LogP:2.50630
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:187

Purity/Quality:

97% ^*data from raw suppliers

3-Vinylbenzoicacidethylester ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Vinylbenzoic acid ethyl ester

There total 8 articles about 3-Vinylbenzoic acid ethyl 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: 90.0%

: 58313-23-8
3-iodobenzoic acid methyl ester

: 3514-67-8
1-Methyl-1-ethenylsilacyclobutane

: 33745-48-1
3-Ethenylbenzoic acid ethyl ester

Guidance literature:: With tetrabutyl ammonium fluoride; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 1h;
DOI:10.1055/s-2000-6292

Reference yield: 82.0%

: 58313-23-8
3-iodobenzoic acid methyl ester

: 1826-67-1
vinyl magnesium bromide

: 33745-48-1
3-Ethenylbenzoic acid ethyl ester

Guidance literature:: vinyl magnesium bromide; With zinc(II) chloride; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 60 ℃; for 0.333333h;

3-iodobenzoic acid methyl ester; ((Cy₂POH)2PdCl)2; In 1-methyl-pyrrolidin-2-one; at 50 ℃; for 1h; Further stages.;
DOI:10.1021/jo801445y

Reference yield: 81.0%

: 24398-88-7
ethyl 3-bromobenzoate

: tetramethyldivinyldisiloxane

: 33745-48-1
3-Ethenylbenzoic acid ethyl ester

Guidance literature:: With C₂₅H₃₉P; tetrabutyl ammonium fluoride; palladium diacetate; In tetrahydrofuran; at 25 ℃; for 24h; Schlenk technique; Inert atmosphere;
DOI:10.1002/chem.201802573