benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|20303-31-5,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

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)-

benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

COC(=O)CCc1c(C)[nH]c(c1C)C(=O)OCc1ccccc1

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Chemical Name:	benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS Number:	20303-31-5
Product Number:	AG0028N3(AGN-PC-0JUH6W)
Synonyms:
MDL No:
Molecular Formula:	C18H21NO4
Molecular Weight:	315.3636

Identification/Properties
Safety Information
NMR Spectrum
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Identification/Properties

Computed Properties

Molecular Weight:

315.369g/mol

XLogP3:

3.2

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

315.147g/mol

Monoisotopic Mass:

315.147g/mol

Topological Polar Surface Area:

68.4A^2

Heavy Atom Count:

Formal Charge:

Complexity:

406

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

Safety Information

GHS Pictogram:

Signal Word:

Warning

UN#:

Hazard Statements:

H315-H319-H335

Precautionary Statements:

P261-P305+P351+P338

Class:

Packing Group:

NMR Spectrum

Other Analytical Data

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Chemical Structure

Benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is a valuable compound in chemical synthesis, particularly in the realm of organic synthesis. This derivative offers a versatile building block for the construction of more complex molecules, owing to its unique structural characteristics and reactivity.Its functional groups, including the ester, carbonyl, and aromatic moieties, make it a crucial intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other fine chemicals. The ester group can serve as a site for further functionalization, allowing for the introduction of different substituents to tailor the compound's properties. Additionally, the pyrrole ring provides opportunities for diverse transformations, enabling the creation of structurally diverse compounds.Furthermore, the presence of the benzyl group enhances the compound's stability and facilitates its isolation and purification during chemical reactions. This stability also contributes to the compound's compatibility with a wide range of synthetic methodologies, making it a versatile tool in the hands of synthetic chemists.Overall, Benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate holds significant potential in the field of chemical synthesis, offering a platform for the development of novel molecules with diverse applications.