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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)-

[6-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid

N#Cc1ccc2c(c1)n(C(=O)OC(C)(C)C)c(c2)B(O)O Request for Quotation
Chemical Name: [6-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
CAS Number: 913835-67-3
Product Number: AG006NKJ(AGN-PC-07137T)
Synonyms:
MDL No: MFCD08436056
Molecular Formula: C14H15BN2O4
Molecular Weight: 286.0909

Identification/Properties

Properties
MP:
219-221°C
BP:
509.1°C at 760 mmHg
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
286.094g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
286.112g/mol
Monoisotopic Mass:
286.112g/mol
Topological Polar Surface Area:
95.5A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
454
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:
H319-H315-H302-H335
Precautionary Statements:
P261-P304+P340-P405-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The (1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl)boronic acid is a versatile compound frequently used in chemical synthesis processes. Specifically, it serves as a valuable building block in the creation of various heterocyclic compounds and pharmaceutical intermediates. By acting as a key component in cross-coupling reactions, this compound enables the efficient and selective formation of carbon-carbon bonds, crucial for constructing complex molecular structures with high precision and control. Its unique molecular structure and reactivity make it an indispensable tool for chemists and researchers aiming to synthesize novel compounds with diverse applications in drug discovery, agrochemical development, and materials science.