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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)-

tert-butyl 4-nitroindole-1-carboxylate

[O-][N+](=O)c1cccc2c1ccn2C(=O)OC(C)(C)C Request for Quotation
Chemical Name: tert-butyl 4-nitroindole-1-carboxylate
CAS Number: 913836-24-5
Product Number: AG003E22(AGN-PC-04YJDZ)
Synonyms:
MDL No: MFCD08689543
Molecular Formula: C13H14N2O4
Molecular Weight: 262.2613

Identification/Properties

Properties
MP:
91-94 °C
BP:
395.3°C at 760 mmHg
Storage:
Inert atmosphere;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-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 4-nitro-1H-indole-1-carboxylate compound plays a crucial role in chemical synthesis, specifically in the realm of medicinal chemistry and drug discovery. Its unique structure and molecular properties make it a versatile building block for creating novel compounds with potential pharmaceutical applications. By incorporating tert-Butyl 4-nitro-1H-indole-1-carboxylate into synthetic pathways, chemists can introduce specific functional groups and stereochemistry to design target molecules with desired biological activities. This compound's presence in the synthesis of pharmaceutical agents underscores its significance in facilitating the development of new therapeutic compounds for various medical conditions.