tert-butyl 3-bromo-4-phenylmethoxyindole-1-carboxylate|914349-26-1,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

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-bromo-4-phenylmethoxyindole-1-carboxylate

Brc1cn(c2c1c(ccc2)OCc1ccccc1)C(=O)OC(C)(C)C

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Chemical Name:	tert-butyl 3-bromo-4-phenylmethoxyindole-1-carboxylate
CAS Number:	914349-26-1
Product Number:	AG00IGON(AGN-PC-05W621)
Synonyms:
MDL No:
Molecular Formula:	C20H20BrNO3
Molecular Weight:	402.2817

Identification/Properties
Safety Information
NMR Spectrum
Other Analytical Data
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Identification/Properties

Computed Properties

Molecular Weight:

402.288g/mol

XLogP3:

5.4

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

401.063g/mol

Monoisotopic Mass:

401.063g/mol

Topological Polar Surface Area:

40.5A^2

Heavy Atom Count:

Formal Charge:

Complexity:

458

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

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

1,1-Dimethylethyl 3-bromo-4-(phenylmethoxy)-1H-indole-1-carboxylate is a versatile compound that plays a crucial role in chemical synthesis. This compound is commonly used as a key building block in the preparation of various pharmaceuticals and agrochemicals. Its unique molecular structure allows for the introduction of functional groups at specific positions, enabling the synthesis of complex molecules with high precision. With its diverse application in organic synthesis, this compound serves as a valuable tool for chemists in the design and development of new active compounds with potential therapeutic or agricultural benefits.