Benzoic acid, 4-(1,2-propadienyl)-, ethyl ester

Base Information

Chemical Name:Benzoic acid, 4-(1,2-propadienyl)-, ethyl ester
CAS No.:709665-45-2
Molecular Formula:C12H12O2
Molecular Weight:188.226
Hs Code.:
DSSTox Substance ID:DTXSID80458686
Nikkaji Number:J1.978.514I

Synonyms:709665-45-2;ETHYL 4-(PROPA-1,2-DIEN-1-YL)BENZOATE;Benzoic acid, 4-(1,2-propadienyl)-, ethyl ester;DTXSID80458686;4-Propadienylbenzoic acid ethyl ester;ETHYL4-(PROPA-1,2-DIEN-1-YL)BENZOATE

Suppliers and Price of Benzoic acid, 4-(1,2-propadienyl)-, 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

Total 1 raw suppliers

Chemical Property of Benzoic acid, 4-(1,2-propadienyl)-, ethyl ester

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:188.083729621
Heavy Atom Count:14
Complexity:231

Purity/Quality:: 85.0-99.8% ^*data from raw 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=C

Technology Process of Benzoic acid, 4-(1,2-propadienyl)-, ethyl ester

There total 6 articles about Benzoic acid, 4-(1,2-propadienyl)-, 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: 100.0%

: 51934-41-9
4-iodobenzoic acid ethyl ester

: 106-96-7
propargyl bromide

: 709665-45-2
4-ethoxycarbonyl phenyl allene

Guidance literature:: 4-iodobenzoic acid ethyl ester; With dilithium tetra(tert-butyl)zincate; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

propargyl bromide; In tetrahydrofuran; at -78 - 20 ℃; regioselective reaction; Inert atmosphere;
DOI:10.1002/chem.200800536

Reference yield: 96.0%

: 4-(3-N,N-diisopropylaminoprop-1-ynyl)-benzoic acid ethyl ester

: 709665-45-2
4-ethoxycarbonyl phenyl allene

Guidance literature:: With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; tris(pentafluorophenyl)phosphine; In 1,4-dioxane; at 100 ℃; for 24h;
DOI:10.1021/ja039175+

Reference yield: 74.0%

: 51934-41-9
4-iodobenzoic acid ethyl ester

: N-cyclohexyl-N-(prop-2-yn-1-yl)cyclohexanamine

: 709665-45-2
4-ethoxycarbonyl phenyl allene

Guidance literature:: With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; copper(l) iodide; triethylamine; 1,2-bis(di(pentafluorophenyl)phosphino)ethane; In acetonitrile; at 80 - 100 ℃; for 48h;
DOI:10.1021/ol060538v