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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-formyl-, methyl ester

COC(=O)c1cc(c[nH]1)C=O Request for Quotation
Chemical Name: 1H-Pyrrole-2-carboxylic acid, 4-formyl-, methyl ester
CAS Number: 40611-79-8
Product Number: AG0076GO(AGN-PC-0JU77A)
Synonyms:
MDL No:
Molecular Formula: C7H7NO3
Molecular Weight: 153.1354

Identification/Properties

Computed Properties
Molecular Weight:
153.137g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
153.043g/mol
Monoisotopic Mass:
153.043g/mol
Topological Polar Surface Area:
59.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
169
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-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 4-formyl-1H-pyrrole-2-carboxylate is a versatile compound widely used in chemical synthesis for its unique properties and applications. Its primary role lies in serving as a key building block in the creation of various functional molecules and organic compounds, particularly in the pharmaceutical and agrochemical industries.This compound is commonly employed as a precursor in the synthesis of heterocyclic compounds, which are essential in drug development and materials science. Its reactive aldehyde group allows for selective functionalization, enabling the formation of complex structures with tailored properties. Additionally, Methyl 4-formyl-1H-pyrrole-2-carboxylate's pyrrole ring confers aromaticity and electron-rich characteristics, influencing reactivity and interactions in synthetic pathways.In chemical transformations, this compound participates in diverse reactions such as condensations, rearrangements, and cycloadditions to yield novel molecular architectures. Its incorporation into multi-step synthetic routes enables the construction of bioactive molecules, natural products, and molecular probes with potential therapeutic or research applications. Overall, Methyl 4-formyl-1H-pyrrole-2-carboxylate plays a pivotal role in advancing the field of organic synthesis by facilitating the creation of complex molecules with tailored functionalities and properties.