1-[4-(2-Phenyleth-1-ynyl)phenyl]ethan-1-one

Base Information

• Chemical Name: 1-[4-(2-Phenyleth-1-ynyl)phenyl]ethan-1-one
• CAS No.: 1942-31-0
• Molecular Formula: C16H12 O
• Molecular Weight: 220.271
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID00381381
• Nikkaji Number: J706.837I
• Wikidata: Q82172175
• Mol file: 1942-31-0.mol

Synonyms:1942-31-0;1-[4-(2-phenyleth-1-ynyl)phenyl]ethan-1-one;1-(4-(Phenylethynyl)phenyl)ethanone;1-[4-(2-phenylethynyl)phenyl]ethanone;1-[4-(phenylethynyl)phenyl]ethanone;4-(Phenylethynyl)acetophenone;4'-(Phenylethynyl)acetophenone;Ethanone,1-[4-(2-phenylethynyl)phenyl]-;1-[4-(2-phenylethynyl)phenyl]ethan-1-one;1-(4-(Phenylethynyl)phenyl)ethan-1-one;1-[4-(Phenylethynyl)phenyl]ethan-1-one;Maybridge1_004914;SCHEMBL400497;(4-acetylphenyl)phenylacetylene;HMS555H08;DTXSID00381381;4(2)-(Phenylethynyl)acetophenone;QCYZMMVPXNWSJK-UHFFFAOYSA-N;1-(4-acetylphenyl)-2-phenylethyne;BAA94231;1-(4-Phenylethynyl-phenyl)-ethanone;CCG-41103;MFCD00219774;STK953296;AKOS002307874;AB92072;AS-65693;4'-(Phenylethynyl)acetophenone, AldrichCPR;CS-0318350;FT-0607133;3-(FMOC-4-AMINOPHENYL)-PROPIONICACID;D93385;A813709;SR-01000631201-1;W-206435;BRD-K69407111-001-01-4

Chemical Property of 1-[4-(2-Phenyleth-1-ynyl)phenyl]ethan-1-one

Chemical Property:

• Vapor Pressure: 6.84E-06mmHg at 25°C
• Melting Point: 99 °C
• Boiling Point: 377.2°Cat760mmHg
• Flash Point: 165.3°C
• PSA: 17.07000
• Density: 1.12g/cm³
• LogP: 3.28900
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 220.088815002
• Heavy Atom Count: 17
• Complexity: 316

Purity/Quality:

97% ^*data from raw suppliers

1-(4-(Phenylethynyl)phenyl)ethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2
• Uses: Fluorescence experiments on 4'-phenylethynyl-acetophenone, whose fluorescence quantum yield was found to be less than 0.001. Reactant in the synthesis of trifluoromethyltrimethylsilane.

Technology Process of 1-[4-(2-Phenyleth-1-ynyl)phenyl]ethan-1-one

There total 98 articles about 1-[4-(2-Phenyleth-1-ynyl)phenyl]ethan-1-one 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: 99.0%

iodobenzene (591-50-4) + 4-ethynylacetophenone (42472-69-5) → 4-(phenylethinyl)acetophenone (1942-31-0)

Guidance literature:

With palladium(II) oxide; triethylamine; In water; at 80 ℃; for 6h;

DOI:10.1055/s-0030-1258018

Reference yield: 96.0%

→ 4-(phenylethinyl)acetophenone (1942-31-0) + triethylamine hydrobromide (636-70-4)

Guidance literature:

Reference yield: 96.0%

phenylacetylene (536-74-3) + 4-acetylphenylboronic acid (149104-90-5) → 4-(phenylethinyl)acetophenone (1942-31-0)

Guidance literature:

With nickel(II) (2-((3-methylthiophen-2-yl)methylene)hydrazinecarbothioamide)2.; 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 100 ℃; for 5h;

DOI:10.1007/s11243-017-0162-8

upstream raw materials:

copper(I) phenylacetylenide

4-Iodoacetophenone

para-bromoacetophenone

phenylacetylene

Downstream raw materials:

(Z)-1-(4-methoxyphenyl)-1,2-diphenylethylene

(Z)-1-(4-(1,2-diphenylvinyl)phenyl)ethanone

C(O)CH₃C₆H₄CSn(C₄H₉)3CHC₆H₅

C(O)CH₃C₆H₄CHCSn(C₄H₉)3C₆H₅