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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)-

tert-butyl 4-bromo-3-(hydroxymethyl)indole-1-carboxylate

OCc1cn(c2c1c(Br)ccc2)C(=O)OC(C)(C)C Request for Quotation
Chemical Name: tert-butyl 4-bromo-3-(hydroxymethyl)indole-1-carboxylate
CAS Number: 914349-05-6
Product Number: AG00IGOA(AGN-PC-05W61G)
Synonyms:
MDL No:
Molecular Formula: C14H16BrNO3
Molecular Weight: 326.1857

Identification/Properties

Computed Properties
Molecular Weight:
326.19g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
325.031g/mol
Monoisotopic Mass:
325.031g/mol
Topological Polar Surface Area:
51.5A^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#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The tert-Butyl 4-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylate is a versatile compound that finds significant application in chemical synthesis. One of the key uses of this compound is in the synthesis of complex organic molecules and pharmaceuticals. It serves as a valuable building block in the construction of various heterocyclic compounds due to its unique structure and reactivity. When utilized in chemical reactions, this compound can facilitate the formation of diverse molecular scaffolds, enabling the production of novel compounds with potential biological activity. Its presence in the synthesis pathway can significantly influence the efficiency and selectivity of reactions, leading to the preparation of intricate molecular structures with enhanced properties. The tert-Butyl 4-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylate thus plays a crucial role in advancing the field of organic chemistry by enabling the creation of new materials, pharmaceuticals, and other valuable products.