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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, 5-nitro-, ethyl ester

[O-][N+](=O)c1ccc([nH]1)C(=O)OCC Request for Quotation
Chemical Name: 1H-Pyrrole-2-carboxylic acid, 5-nitro-, ethyl ester
CAS Number: 36131-46-1
Product Number: AG007BDL(AGN-PC-0NHO83)
Synonyms:
MDL No:
Molecular Formula: C7H8N2O4
Molecular Weight: 184.1494

Identification/Properties

Computed Properties
Molecular Weight:
184.151g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
184.048g/mol
Monoisotopic Mass:
184.048g/mol
Topological Polar Surface Area:
87.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
213
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-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Ethyl 5-nitro-1H-pyrrole-2-carboxylate is a versatile compound widely used in chemical synthesis due to its unique reactivity and structural properties. This compound serves as a valuable building block in the preparation of various functionalized molecules such as pharmaceuticals, agrochemicals, and materials.One of the key applications of Ethyl 5-nitro-1H-pyrrole-2-carboxylate is its utility as a precursor in the synthesis of heterocyclic compounds. By participating in various synthetic transformations, this compound can be modified to introduce different functional groups, allowing for the creation of diverse structures with desired properties. Its nitro and ester functionalities can be selectively manipulated to form a wide range of derivatives, enabling the synthesis of complex molecules efficiently.Furthermore, Ethyl 5-nitro-1H-pyrrole-2-carboxylate plays a crucial role in the construction of bioactive compounds and pharmaceutical intermediates. Through strategic modifications and derivatizations, this compound can be tailored to exhibit specific biological activities or improve drug-like properties. Its presence in the molecular scaffold often imparts desirable characteristics, making it a valuable component in the drug discovery process.Overall, the versatility and synthetic accessibility of Ethyl 5-nitro-1H-pyrrole-2-carboxylate make it a valuable tool in the hands of synthetic chemists for the preparation of diverse chemical entities with potential applications in various fields.