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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)-

[4-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid

OB(c1cc2c(n1C(=O)OC(C)(C)C)cccc2Br)O Request for Quotation
Chemical Name: [4-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
CAS Number: 957034-29-6
Product Number: AG003BUO(AGN-PC-03X8KY)
Synonyms:
MDL No:
Molecular Formula: C13H15BBrNO4
Molecular Weight: 339.9775

Identification/Properties

Properties
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
339.98g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
339.028g/mol
Monoisotopic Mass:
339.028g/mol
Topological Polar Surface Area:
71.7A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
374
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound (4-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid is a versatile reagent commonly employed in organic chemical synthesis. It serves as a key building block in the preparation of various pharmaceuticals, agrochemicals, and materials due to its unique structural features. One of its primary applications is in cross-coupling reactions, particularly in Suzuki-Miyaura coupling, where it acts as a boron-based nucleophile to form carbon-carbon bonds. Additionally, this compound is utilized in the synthesis of complex molecules with indole scaffolds, imparting desired properties and functionalities. Its compatibility with a range of reaction conditions and ability to undergo selective transformations make it a valuable tool for constructing diverse chemical structures efficiently. By incorporating (4-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid into synthetic pathways, chemists can access a wide array of compounds with potential applications in various fields.