Benzoyl chloride, 4-(phenylethynyl)-

Base Information

Chemical Name:Benzoyl chloride, 4-(phenylethynyl)-
CAS No.:25851-08-5
Molecular Formula:C15H9ClO
Molecular Weight:240.68400
Hs Code.:
DSSTox Substance ID:DTXSID60465131
Nikkaji Number:J1.964.891E
Wikidata:Q82290854
Mol file:25851-08-5.mol

Synonyms:Benzoyl chloride, 4-(phenylethynyl)-;25851-08-5;SCHEMBL1140603;DTXSID60465131

Suppliers and Price of Benzoyl chloride, 4-(phenylethynyl)-

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Benzoyl chloride, 4-(phenylethynyl)-

Chemical Property:

PSA：17.07000
LogP:3.46540
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:240.0341926
Heavy Atom Count:17
Complexity:321

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzoyl chloride, 4-(phenylethynyl)-

There total 6 articles about Benzoyl chloride, 4-(phenylethynyl)- 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:

: 25739-23-5
4-(phenylethynyl)benzoic acid

: 25851-08-5
4-(phenylethynyl)benzoyl chloride

Guidance literature:: With thionyl chloride; Heating;

Reference yield:

: 536-74-3
phenylacetylene

: 25851-08-5
4-(phenylethynyl)benzoyl chloride

Guidance literature:: Multi-step reaction with 3 steps

1.1: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; tetrabutyl ammonium fluoride / tetrahydrofuran / 18 h / 20 °C / Inert atmosphere

2.1: bromine; sodium hydroxide / 1,4-dioxane / 1 h / 70 °C / Inert atmosphere

2.2: Inert atmosphere

3.1: thionyl chloride / benzene / 12 h / Reflux; Inert atmosphere

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; thionyl chloride; tetrabutyl ammonium fluoride; bromine; sodium hydroxide; In tetrahydrofuran; 1,4-dioxane; benzene; 1.1: Sonogashira coupling / 2.1: Haloform reaction;
DOI:10.1021/jm201230z

Reference yield:

: 100865-20-1
Stilben-aldehyd-⁽⁴⁾-dibromid

: 25851-08-5
4-(phenylethynyl)benzoyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: KOH / butan-1-ol / Heating

2: SOCl₂ / Heating

With potassium hydroxide; thionyl chloride; In butan-1-ol;