Benzoic acid, 4-(methylphenylamino)-3-(phenylethynyl)-, methyl ester

Base Information

Chemical Name:Benzoic acid, 4-(methylphenylamino)-3-(phenylethynyl)-, methyl ester
CAS No.:868540-86-7
Molecular Formula:C23H19NO2
Molecular Weight:341.409
Hs Code.:
DSSTox Substance ID:DTXSID60470669
Wikidata:Q82298824

Synonyms:868540-86-7;Benzoic acid, 4-(methylphenylamino)-3-(phenylethynyl)-, methyl ester;DTXSID60470669

Suppliers and Price of Benzoic acid, 4-(methylphenylamino)-3-(phenylethynyl)-, methyl ester

Supply Marketing:

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

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Chemical Property of Benzoic acid, 4-(methylphenylamino)-3-(phenylethynyl)-, methyl ester

Chemical Property:

XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:341.141578849
Heavy Atom Count:26
Complexity:519

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C1=CC=CC=C1)C2=C(C=C(C=C2)C(=O)OC)C#CC3=CC=CC=C3

Technology Process of Benzoic acid, 4-(methylphenylamino)-3-(phenylethynyl)-, methyl ester

There total 2 articles about Benzoic acid, 4-(methylphenylamino)-3-(phenylethynyl)-, methyl 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: 84.0%

: 868540-78-7
methyl 3-iodo-4-[methyl(phenyl)amino]benzoate

: 536-74-3
phenylacetylene

: 868540-86-7
methyl 4-[methyl(phenyl)amino]-3-(phenylethynyl)benzoate

Guidance literature:: With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; at 20 ℃; for 24h;
DOI:10.1021/jo051549p

Reference yield:

: 88284-48-4
2-(trimethylsilyl)phenyl trifluoromethanesulfonate

: 868540-86-7
methyl 4-[methyl(phenyl)amino]-3-(phenylethynyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / CsF / acetonitrile / 48 h / 20 °C

2: 84 percent / Et₃N; CuI / PdCl₂(PPh₃)2 / 24 h / 20 °C

With copper(l) iodide; triethylamine; cesium fluoride; bis-triphenylphosphine-palladium(II) chloride; In acetonitrile; 2: Sonogashira coupling;
DOI:10.1021/jo051549p