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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 3-(hydroxymethyl)-5-phenylmethoxyindole-1-carboxylate

OCc1cn(c2c1cc(OCc1ccccc1)cc2)C(=O)OC(C)(C)C Request for Quotation
Chemical Name: tert-butyl 3-(hydroxymethyl)-5-phenylmethoxyindole-1-carboxylate
CAS Number: 914349-14-7
Product Number: AG00IGOH(AGN-PC-05W61Q)
Synonyms:
MDL No:
Molecular Formula: C21H23NO4
Molecular Weight: 353.4116

Identification/Properties

Computed Properties
Molecular Weight:
353.418g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
353.163g/mol
Monoisotopic Mass:
353.163g/mol
Topological Polar Surface Area:
60.7A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
469
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 5-(benzyloxy)-3-(hydroxymethyl)-1H-indole-1-carboxylate is a versatile compound widely used in chemical synthesis for its unique properties and reactivity. It serves as a key building block in the creation of pharmaceuticals, agrochemicals, and other fine chemicals. The presence of the tert-butyl group enhances the compound's stability and solubility, making it an ideal precursor for intricate organic transformations. In particular, this compound is valued for its role in the synthesis of indole derivatives, which are important structural motifs in various bioactive molecules. Its ability to undergo selective functional group manipulations makes it a valuable tool in the hands of synthetic chemists striving to create novel and complex compounds for a range of applications.