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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)-

Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, methyl ester, (E)-

COC(=O)/C(=C/N(C)C)/C(=O)C Request for Quotation
Chemical Name: Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, methyl ester, (E)-
CAS Number: 203186-56-5
Product Number: AG0028OY(AGN-PC-0O79P5)
Synonyms:
MDL No:
Molecular Formula: C8H13NO3
Molecular Weight: 171.1937

Identification/Properties

Computed Properties
Molecular Weight:
171.19g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
171.089543g/mol
Monoisotopic Mass:
171.089543g/mol
Topological Polar Surface Area:
46.6Ų
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
218
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


(E)-Methyl 2-((dimethylamino)methylene)-3-oxobutanoate is a highly versatile compound that finds wide application in chemical synthesis. Its unique structure and reactivity make it a valuable building block for the creation of various complex organic molecules.In chemical synthesis, this compound serves as a key intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its ability to undergo different types of chemical reactions, such as Michael additions, nucleophilic substitutions, and condensations, allows chemists to introduce diverse functional groups and stereochemical elements into target molecules.Furthermore, (E)-Methyl 2-((dimethylamino)methylene)-3-oxobutanoate is particularly useful in the synthesis of chiral compounds due to the presence of the dimethylamino group, which can act as a chiral auxiliary. This compound can participate in asymmetric transformations to efficiently generate enantiomerically pure products, making it a valuable tool in the preparation of optically active substances.Overall, the versatile nature of (E)-Methyl 2-((dimethylamino)methylene)-3-oxobutanoate makes it an indispensable asset in the arsenal of synthetic chemists for the construction of complex molecules with precise structural and stereochemical control.