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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)-

1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester

CCOC(=O)c1[nH]c(c(c1C)C(=O)C)C Request for Quotation
Chemical Name: 1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester
CAS Number: 2386-26-7
Product Number: AG003IT1(AGN-PC-0JKD6H)
Synonyms:
MDL No:
Molecular Formula: C11H15NO3
Molecular Weight: 209.2417

Identification/Properties

Properties
MP:
143 °C
BP:
348.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
209.245g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
209.105g/mol
Monoisotopic Mass:
209.105g/mol
Topological Polar Surface Area:
59.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
265
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#:
N/A
Hazard Statements:
H302-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The Ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is a versatile compound commonly used in chemical synthesis as a key building block for the preparation of various complex organic molecules. Its unique chemical structure and reactivity make it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials.One of the main applications of Ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is its role as a precursor in the synthesis of pyrrole derivatives. Pyrroles are a class of heterocyclic compounds widely found in natural products and biologically active molecules. By utilizing this compound in chemical reactions such as cycloadditions, condensations, and functional group transformations, chemists can efficiently access a variety of substituted pyrrole derivatives with diverse properties and applications.Furthermore, Ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate can also serve as a starting material for the preparation of aromatic compounds through various synthetic routes. Its acetyl and carboxylate groups can undergo selective modifications to introduce different functional groups and stereochemistry, enabling the synthesis of complex molecules with specific chemical and biological activities.Overall, the versatile nature of Ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate makes it a valuable tool in organic synthesis, providing chemists with the means to access diverse chemical space and develop novel compounds for various applications.