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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)-

3-Butenoic acid, 3-methyl-

CC(=C)CC(=O)O Request for Quotation
Chemical Name: 3-Butenoic acid, 3-methyl-
CAS Number: 1617-31-8
Product Number: AG001VTH(AGN-PC-0BXGLG)
Synonyms:
MDL No:
Molecular Formula: C5H8O2
Molecular Weight: 100.1158

Identification/Properties

Computed Properties
Molecular Weight:
100.117g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
100.052g/mol
Monoisotopic Mass:
100.052g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
94.3
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Methyl-3-butenoic acid, also known as β-Methylcrotonic acid, is a versatile compound widely utilized in chemical synthesis. Its primary application lies in its role as an important intermediate in organic chemistry reactions. This compound serves as a crucial building block for the synthesis of various pharmaceuticals, agrochemicals, and fine chemicals.In chemical synthesis, 3-Methyl-3-butenoic acid can undergo diverse transformations to yield a range of valuable products. One common route involves the condensation of this acid with various nucleophiles to form β-substituted acids or esters. Additionally, it can participate in aldol condensation reactions to produce β-hydroxy acids, which are key intermediates in the synthesis of bioactive compounds.Moreover, 3-Methyl-3-butenoic acid can be utilized for the preparation of complex natural products and functional materials through strategic modifications of its structure. Its unique chemical reactivity and versatile nature make it a valuable precursor in the hands of synthetic chemists, enabling the efficient construction of intricate molecules with specific properties and functions.