4-[3-[2-(Trimethylsilyl)ethynyl]benzoyl]benzonitrile

Base Information

Chemical Name:4-[3-[2-(Trimethylsilyl)ethynyl]benzoyl]benzonitrile
CAS No.:243137-98-6
Molecular Formula:C19H17NOSi
Molecular Weight:303.436
Hs Code.:
DSSTox Substance ID:DTXSID501218986

Synonyms:DTXSID501218986;4-[3-[2-(Trimethylsilyl)ethynyl]benzoyl]benzonitrile;243137-98-6

Suppliers and Price of 4-[3-[2-(Trimethylsilyl)ethynyl]benzoyl]benzonitrile

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

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Chemical Property of 4-[3-[2-(Trimethylsilyl)ethynyl]benzoyl]benzonitrile

Chemical Property:

Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:303.107940700
Heavy Atom Count:22
Complexity:516

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C[Si](C)(C)C#CC1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)C#N

Technology Process of 4-[3-[2-(Trimethylsilyl)ethynyl]benzoyl]benzonitrile

There total 10 articles about 4-[3-[2-(Trimethylsilyl)ethynyl]benzoyl]benzonitrile 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: 91.0%

: 243137-97-5
4-(3-bromobenzoyl)benzonitrile

: 1066-54-2
trimethylsilylacetylene

: 243137-98-6
4-(3-trimethylsilylethynylbenzoyl)benzonitrile

Guidance literature:: With palladium diacetate; triethylamine; triphenylphosphine; for 5h; Heating;
DOI:10.1021/jo9904516

Reference yield: 40.0%

: 151-50-8
potassium cyanide

: 243138-00-3
3'-trimethylsilylethynyl-4-hydroxybenzophenone

: 243137-98-6
4-(3-trimethylsilylethynylbenzoyl)benzonitrile

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; 18-crown-6 ether; In benzene; for 2h; Heating;
DOI:10.1021/jo9904516

Reference yield:

: 585-76-2
m-bromobenzoic acid

: 243137-98-6
4-(3-trimethylsilylethynylbenzoyl)benzonitrile

Guidance literature:: Multi-step reaction with 6 steps

1: SOCl₂ / 1 h / Heating

2: 5.75 g / AlCl₃ / toluene / 3 h / 20 °C

3: 83 percent / NBS; AIBN / acetonitrile / 5 h / Heating

4: 81 percent / NaOAc / dimethylformamide / 8 h / Heating

5: 85 percent / sodium formate; NH₂OH*HCl / formic acid / 3 h / Heating

6: 91 percent / PPh₃; Et₃N; Pd(OAc)2 / 5 h / Heating

With palladium diacetate; N-Bromosuccinimide; aluminium trichloride; thionyl chloride; 2,2'-azobis(isobutyronitrile); hydroxylamine hydrochloride; sodium formate; sodium acetate; triethylamine; triphenylphosphine; In formic acid; N,N-dimethyl-formamide; toluene; acetonitrile; 1: Chlorination / 2: Acylation / 3: Bromination / 4: Hydrolysis / 5: Substitution / 6: Condensation;
DOI:10.1021/jo9904516