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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-1-carboxylic acid, 6-nitro-, 1,1-dimethylethyl ester

[O-][N+](=O)c1ccc2c(c1)n(cc2)C(=O)OC(C)(C)C Request for Quotation
Chemical Name: 1H-Indole-1-carboxylic acid, 6-nitro-, 1,1-dimethylethyl ester
CAS Number: 219552-64-4
Product Number: AG007OR1(AGN-PC-03MNUV)
Synonyms:
MDL No:
Molecular Formula: C13H14N2O4
Molecular Weight: 262.2613

Identification/Properties

Computed Properties
Molecular Weight:
262.265g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
262.095g/mol
Monoisotopic Mass:
262.095g/mol
Topological Polar Surface Area:
77A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
372
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-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The tert-Butyl 6-nitro-1H-indole-1-carboxylate is a versatile compound widely used in chemical synthesis processes. In organic chemistry, it serves as a key intermediate in the preparation of various pharmaceuticals, agrochemicals, and functional materials. Its unique structure and reactive properties make it an essential building block for creating complex molecules in a controlled manner. The incorporation of tert-Butyl 6-nitro-1H-indole-1-carboxylate allows chemists to introduce specific functionalities, such as nitro groups and tert-butyl esters, into target molecules with precision. This compound plays a crucial role in the development of new synthetic methodologies and the synthesis of diverse chemical compounds with desired properties.