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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, 3-borono-, 1-(1,1-dimethylethyl) ester

OB(c1cn(c2c1cccc2)C(=O)OC(C)(C)C)O Request for Quotation
Chemical Name: 1H-Indole-1-carboxylic acid, 3-borono-, 1-(1,1-dimethylethyl) ester
CAS Number: 181365-26-4
Product Number: AG0022U9(AGN-PC-0LOWAW)
Synonyms:
MDL No: MFCD06656257
Molecular Formula: C13H16BNO4
Molecular Weight: 261.0814

Identification/Properties

Properties
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
261.084g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
261.117g/mol
Monoisotopic Mass:
261.117g/mol
Topological Polar Surface Area:
71.7A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
342
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound (1-(tert-Butoxycarbonyl)-1H-indol-3-yl)boronic acid is a versatile reagent commonly used in organic synthesis. It serves as a valuable building block for the preparation of various biologically active compounds, pharmaceuticals, and agrochemicals. In chemical synthesis, this boronic acid derivative is utilized as a key component in Suzuki-Miyaura cross-coupling reactions to form carbon-carbon bonds. Additionally, it can participate in palladium-catalyzed coupling reactions to introduce the indole motif into complex molecular structures. Its unique structure and reactivity make it a valuable tool for chemists seeking to design and synthesize new molecules with specific functionalities and properties.