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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, 5-nitro-, 1,1-dimethylethyl ester

[O-][N+](=O)c1ccc2c(c1)ccn2C(=O)OC(C)(C)C Request for Quotation
Chemical Name: 1H-Indole-1-carboxylic acid, 5-nitro-, 1,1-dimethylethyl ester
CAS Number: 166104-19-4
Product Number: AG001WI0(AGN-PC-00E0A8)
Synonyms:
MDL No:
Molecular Formula: C13H14N2O4
Molecular Weight: 262.2613

Identification/Properties

Properties
MP:
115 °C
BP:
395.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
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-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


The tert-Butyl 5-nitro-1H-indole-1-carboxylate is a versatile compound widely utilized in chemical synthesis processes. As a key intermediate in organic chemistry, this compound serves as a valuable building block for the creation of complex molecules and pharmaceuticals. Its unique structure and reactivity make it a valuable tool in the synthesis of various heterocyclic compounds and functionalized indole derivatives. Additionally, its nitro functionality allows for further derivatization, enabling the introduction of various functional groups to tailor the properties of the final products. In summary, tert-Butyl 5-nitro-1H-indole-1-carboxylate plays a crucial role in the development of novel chemical entities and pharmaceuticals through its application in diverse synthetic pathways.