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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-Indole-2-carboxylic acid, 3-methyl-, ethyl ester

CCOC(=O)c1[nH]c2c(c1C)cccc2 Request for Quotation
Chemical Name: 1H-Indole-2-carboxylic acid, 3-methyl-, ethyl ester
CAS Number: 26304-51-8
Product Number: AG002SNL(AGN-PC-0JTGUB)
Synonyms:
MDL No:
Molecular Formula: C12H13NO2
Molecular Weight: 203.2371

Identification/Properties

Properties
MP:
134-136℃
BP:
344.1 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
203.241g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
203.095g/mol
Monoisotopic Mass:
203.095g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
242
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Ethyl 3-methyl-1H-indole-2-carboxylate is a versatile compound widely used in chemical synthesis for the development of pharmaceuticals, agrochemicals, and fine chemicals. This compound serves as a valuable building block in the synthesis of various biologically active molecules due to its unique structural features and reactivity. In organic synthesis, Ethyl 3-methyl-1H-indole-2-carboxylate can undergo a range of transformations such as functional group interconversions, cyclizations, and coupling reactions to introduce new functionalities or construct complex molecular frameworks. Its indole moiety provides a key structural element found in many pharmacologically important compounds, making it a valuable precursor in medicinal chemistry for the preparation of drug candidates targeting diverse biological pathways. In addition, its ester functionality offers opportunities for further derivatization to modulate the physicochemical properties or biological activities of the resulting compounds. Overall, Ethyl 3-methyl-1H-indole-2-carboxylate plays an essential role in facilitating the synthesis of diverse chemical entities with potential applications in various fields of research and industry.