2-Cyanobenzylzinc bromide solution

Name: 2-Cyanobenzylzinc bromide solution
SKU: ACM199465662-1
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Catalog NumberACM199465662-1

CAS Number199465-66-2

CategorySalt

IUPAC Name

bromozinc(1+);2-methanidylbenzonitrile

Molecular Weight

261.4g/mol

Molecular Formula

C8H6BrNZn

Canonical SMILES

[CH2-]C1=CC=CC=C1C#N.[Zn+]Br

InChI

InChI=1S/C8H6N.BrH.Zn/c1-7-4-2-3-5-8(7)6-9;;/h2-5H,1H2;1H;/q-1;;+2/p-1

InChI Key

FRRLGGRYFJXNSD-UHFFFAOYSA-M

Application

The purpose of the 2-Cyanobenzylzinc bromide solution is to serve as a versatile reactant in various organic synthesis reactions. It plays a critical role in metal-catalyzed Negishi cross-coupling, facilitating the formation of carbon-carbon bonds to produce aryl or heteroaryl derivatives. Additionally, it is utilized to synthesize complex compounds such as 4-(2-Cyanobenzyl)-3'-(trifluoromethyl)biphenyl when reacted with aryl nonaflate using Pd(dba)2 as a catalyst. The solution is also employed in the preparation of 2-[(2-cyanophenyl)methyl] benzamide by reacting with 2-iodobenzamide in the presence of a nickel catalyst, highlighting its versatility in advanced organic synthesis applications.

Complexity

140

Covalently-Bonded Unit Count

Exact Mass

258.8975g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

258.8975g/mol

Rotatable Bond Count

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