Ethyl 4-(phenylethynyl)benzoate

Base Information

Chemical Name:Ethyl 4-(phenylethynyl)benzoate
CAS No.:63164-96-5
Molecular Formula:C17H14O2
Molecular Weight:250.297
Hs Code.:2916399090
DSSTox Substance ID:DTXSID70405285
Nikkaji Number:J837.764B
Wikidata:Q72476666

Synonyms:ETHYL 4-(PHENYLETHYNYL)BENZOATE;63164-96-5;Ethyl 4-(2-phenylethynyl)benzoate;Ethyl4-(phenylethynyl)benzoate;SCHEMBL3639721;DTXSID70405285;JOXFGLUYWQJUQC-UHFFFAOYSA-N;A26861

Suppliers and Price of Ethyl 4-(phenylethynyl)benzoate

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

Crysdot
Ethyl4-(phenylethynyl)benzoate 95+%
1g
$ 772.00

American Custom Chemicals Corporation
4-(2-PHENYLETHYNYL)BENZOIC ACID ETHYL ESTER 95.00%
5MG
$ 500.08

Alichem
Ethyl4-(phenylethynyl)benzoate
1g
$ 621.72

Total 12 raw suppliers

Chemical Property of Ethyl 4-(phenylethynyl)benzoate

Chemical Property:

PSA：26.30000
LogP:3.26310
Storage Temp.:2-8°C
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:250.099379685
Heavy Atom Count:19
Complexity:346

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-(phenylethynyl)benzoate 95+% ^*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#CC2=CC=CC=C2

Technology Process of Ethyl 4-(phenylethynyl)benzoate

There total 29 articles about Ethyl 4-(phenylethynyl)benzoate 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

: 536-74-3
phenylacetylene

: 63164-96-5
ethyl 4-(2-phenylethynyl)benzoate

Guidance literature:: With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; diisopropylamine; at 0 ℃; Reagent/catalyst; Temperature; Inert atmosphere;
DOI:10.1002/anie.201207970

Reference yield: 98.0%

: 5798-75-4
Ethyl 4-bromobenzoate

: 536-74-3
phenylacetylene

: 63164-96-5
ethyl 4-(2-phenylethynyl)benzoate

Guidance literature:: With diisopropylammonium bromide; tri tert-butylphosphoniumtetrafluoroborate; copper(l) iodide; sodium tetrachloropalladate(II); In various solvent(s); at 80 ℃; for 7h;
DOI:10.1002/adsc.200505095

Reference yield: 98.0%

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

: 159087-45-3
4,4,5,5-tetramethyl-2-phenylethynyl-[1,3,2]dioxaborolane

: 63164-96-5
ethyl 4-(2-phenylethynyl)benzoate

Guidance literature:: With 1,3-dimethyl-2-imidazolidinone; potassium carbonate; triphenylphosphine; copper(l) chloride; at 120 ℃; for 12h;
DOI:10.1016/j.tetlet.2012.11.069