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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

2-Propenoic acid, 3-(4-cyanophenyl)-, methyl ester

COC(=O)/C=C/c1ccc(cc1)C#N Request for Quotation
Chemical Name: 2-Propenoic acid, 3-(4-cyanophenyl)-, methyl ester
CAS Number: 52116-83-3
Product Number: AG003I46(AGN-PC-09RUER)
Synonyms:
MDL No:
Molecular Formula: C11H9NO2
Molecular Weight: 187.1947

Identification/Properties

Properties
MP:
112-125℃
Form:
Solid
Computed Properties
Molecular Weight:
187.198g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
187.063g/mol
Monoisotopic Mass:
187.063g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
266
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 3-(4-cyanophenyl)acrylate is a versatile compound that finds valuable applications in organic chemical synthesis. Its unique structure, containing a cyanophenyl group attached to an acrylate moiety, imparts specific reactivity and functionality that makes it a valuable building block in the synthesis of various compounds.In chemical synthesis, Methyl 3-(4-cyanophenyl)acrylate serves as a key intermediate in the preparation of pharmaceuticals, agrochemicals, and materials. Its acrylate group allows for facile modification through various chemical reactions, such as nucleophilic addition and cross-coupling reactions, enabling the introduction of diverse functional groups. The presence of the cyanophenyl moiety provides an electron-withdrawing effect that can enhance the reactivity and selectivity of reactions involving Methyl 3-(4-cyanophenyl)acrylate.Furthermore, Methyl 3-(4-cyanophenyl)acrylate can participate in conjugate addition reactions, Michael additions, and cycloaddition reactions to form complex molecular structures with interesting properties. Its versatility and synthetic utility make it a valuable tool for chemists seeking to design and create novel compounds with specific biological or physicochemical properties.