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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-bromo-3-formyl-, 1,1-dimethylethyl ester

O=Cc1cn(c2c1cc(Br)cc2)C(=O)OC(C)(C)C Request for Quotation
Chemical Name: 1H-Indole-1-carboxylic acid, 5-bromo-3-formyl-, 1,1-dimethylethyl ester
CAS Number: 325800-39-3
Product Number: AG00C7KH(AGN-PC-00YV1H)
Synonyms:
MDL No:
Molecular Formula: C14H14BrNO3
Molecular Weight: 324.1699

Identification/Properties

Computed Properties
Molecular Weight:
324.174g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
323.016g/mol
Monoisotopic Mass:
323.016g/mol
Topological Polar Surface Area:
48.3A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
366
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:
H315-H319-H335
Precautionary Statements:
P261-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-bromo-3-formyl-1H-indole-1-carboxylate compound serves as a versatile building block in chemical synthesis. It functions as a key intermediate in the creation of various complex organic molecules, enabling the formation of unique structures with specialized properties. This compound plays a crucial role in the development of pharmaceuticals, agrochemicals, and materials science, contributing to the advancement of modern chemistry research. Its reactivity and structural characteristics make it a valuable tool for chemists seeking to design and construct novel compounds for a wide range of applications.