Methyl 4-(phenylethynyl)benzoate

Base Information

Chemical Name:Methyl 4-(phenylethynyl)benzoate
CAS No.:42497-80-3
Molecular Formula:C16H12O2
Molecular Weight:236.27
Hs Code.:
European Community (EC) Number:847-739-2
DSSTox Substance ID:DTXSID10457647
Nikkaji Number:J1.142.012E
Wikidata:Q82280571

Synonyms:methyl 4-(phenylethynyl)benzoate;42497-80-3;Methyl 4-(2-phenylethynyl)benzoate;methyl 4-phenylethynylbenzoate;methyl4-(phenylethynyl)benzoate;SCHEMBL1105504;IOMGFEKBYSHGLF-UHFFFAOYSA-;methyl-4-(phenylethynyl)benzoate;DTXSID10457647;IOMGFEKBYSHGLF-UHFFFAOYSA-N;EN300-266211;F77964;InChI=1/C16H12O2/c1-18-16(17)15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,1H3

Suppliers and Price of Methyl 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

Total 8 raw suppliers

Chemical Property of Methyl 4-(phenylethynyl)benzoate

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:236.083729621
Heavy Atom Count:18
Complexity:333

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

Technology Process of Methyl 4-(phenylethynyl)benzoate

There total 46 articles about Methyl 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%

: 619-44-3
methyl 4-iodobenzoate

: 536-74-3
phenylacetylene

: 42497-80-3
methyl 4-(phenylethynyl)benzoate

Guidance literature:: With copper(l) iodide; triethylamine; triphenylphosphine; In water; at 60 ℃; for 24h; Schlenk technique; Inert atmosphere;
DOI:10.1007/s10562-016-1803-9

Reference yield: 99.0%

: 619-44-3
methyl 4-iodobenzoate

: 637-44-5
phenylpropyolic acid

: 42497-80-3
methyl 4-(phenylethynyl)benzoate

Guidance literature:: With copper(l) iodide; potassium carbonate; triphenylphosphine; In dimethyl sulfoxide; at 90 ℃; for 24h; Inert atmosphere;
DOI:10.1039/c1ob05969f

Reference yield: 99.0%

: 1126-46-1
Methyl 4-chlorobenzoate

: 1719-19-3
2-Methyl-4-phenyl-3-butyn-2-ol

: 42497-80-3
methyl 4-(phenylethynyl)benzoate

Guidance literature:: With {(Pd{Fe(η5-C5H5)(η5-C5H3C(CH3)=NC6H4CH3-4)}(μ-Cl))2}; potassium carbonate; XPhos; In acetonitrile; at 110 ℃; for 16h; Inert atmosphere;
DOI:10.1021/jo4014657