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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-Butenoic acid, 2-cyano-3-methyl-, ethyl ester

CCOC(=O)C(=C(C)C)C#N Request for Quotation
Chemical Name: 2-Butenoic acid, 2-cyano-3-methyl-, ethyl ester
CAS Number: 759-58-0
Product Number: AG003Q3X(AGN-PC-0JJP73)
Synonyms:
MDL No:
Molecular Formula: C8H11NO2
Molecular Weight: 153.1784

Identification/Properties

Properties
MP:
ca 20℃
BP:
98-99 °C1 mm Hg(lit.)
Form:
Liquid
Refractive Index:
n20/D 1.464(lit.)
Computed Properties
Molecular Weight:
153.181g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
153.079g/mol
Monoisotopic Mass:
153.079g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
228
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Ethyl 2-cyano-3-methylbut-2-enoate, a versatile chemical compound, finds extensive application in chemical synthesis as a valuable building block. Through various synthetic routes, it serves as a precursor for the preparation of a wide range of functional organic molecules. In organic synthesis, this compound is utilized as an intermediate in the construction of diverse structures due to its ability to undergo various reactions, such as nucleophilic addition, condensation, and cyclization. By judiciously manipulating the reactivity of the cyano group and the unsaturation in the molecule, chemists can access a plethora of derivatives with different substitution patterns and functionalities. This compound plays a crucial role in the creation of complex molecules with tailored properties, making it an indispensable tool for synthetic chemists in the development of pharmaceuticals, agrochemicals, and materials with specific applications.