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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, 3,4-dimethyl-, ethyl ester

CCOC(=O)c1[nH]cc(c1C)C Request for Quotation
Chemical Name: 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, ethyl ester
CAS Number: 938-75-0
Product Number: AG006C2G(AGN-PC-0LE7OA)
Synonyms:
MDL No:
Molecular Formula: C9H13NO2
Molecular Weight: 167.2050

Identification/Properties

Properties
MP:
105-108℃
BP:
274.3±35.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
167.208g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
167.095g/mol
Monoisotopic Mass:
167.095g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
170
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-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is a versatile compound that finds wide application in chemical synthesis. In organic chemistry, this compound serves as a valuable building block for the synthesis of various complex molecules and pharmaceutical intermediates. Its unique structural properties make it a key component in the preparation of heterocyclic compounds, which are essential in drug discovery and development.Due to its reactivity and compatibility with a variety of functional groups, Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is commonly used in the construction of diverse molecular scaffolds through various synthetic methods such as condensation reactions, cycloadditions, and substitution reactions. This compound’s presence in the synthesis of organic compounds contributes to the development of new chemical entities with potential biological activities, making it a valuable tool in medicinal chemistry research and industrial applications.Furthermore, the incorporation of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate into complex molecule synthesis enables chemists to modify its structure to generate analogs with improved properties, such as enhanced biological activity or pharmacokinetics. Its versatility and utility in chemical transformations make it an indispensable compound for organic chemists engaged in the design and synthesis of novel molecules for various scientific and industrial purposes.