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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, 6-bromo-, 1,1-dimethylethyl ester

Brc1ccc2c(c1)n(cc2)C(=O)OC(C)(C)C Request for Quotation
Chemical Name: 1H-Indole-1-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester
CAS Number: 147621-26-9
Product Number: AG001F1W(AGN-PC-009C3E)
Synonyms:
MDL No:
Molecular Formula: C13H14BrNO2
Molecular Weight: 296.1598

Identification/Properties

Properties
MP:
102-103℃
BP:
367.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
296.164g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
295.021g/mol
Monoisotopic Mass:
295.021g/mol
Topological Polar Surface Area:
31.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
300
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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


Tert-Butyl 6-bromo-1H-indole-1-carboxylate is a valuable compound widely used in chemical synthesis as a versatile building block for the generation of diverse molecular structures. Its unique structure and reactivity make it an essential component in the production of pharmaceuticals, agrochemicals, and materials science.In chemical synthesis, tert-Butyl 6-bromo-1H-indole-1-carboxylate serves as a key intermediate in the preparation of various biologically active compounds. By undergoing further transformations such as substitution reactions, cross-coupling reactions, or nucleophilic additions, this compound can be utilized to construct complex molecular architectures with improved pharmacological properties or other desired characteristics.Furthermore, the bromine atom in the 6-position of the indole ring enables selective functionalization, allowing chemists to control the regioselectivity of subsequent reactions for targeted synthesis of specific molecules. This level of control is crucial in the design and development of new chemical entities with enhanced biological activities or tailored physical properties.Overall, tert-Butyl 6-bromo-1H-indole-1-carboxylate plays a crucial role in modern chemical synthesis by providing a flexible platform for the construction of diverse molecular structures, thereby facilitating the discovery and development of novel compounds with potential applications in various fields.