ChemicalBook--->CAS DataBase List--->99275-47-5

99275-47-5

99275-47-5 Structure

99275-47-5 Structure
IdentificationMore
[Name]

1-BOC-5-METHOXYINDOLE
[CAS]

99275-47-5
[Synonyms]

1-BOC-5-METHOXYINDOLE
N-BOC-5-METHOXYINDOLE
TERT-BUTYL 5-METHOXY-1H-INDOLE-1-CARBOXYLATE
5-Methoxy-1H-indole, N-BOC protected
5-Methoxy-1H-indole, N-BOC protected 98%
N-(tert-Butoxycarbonyl)-5-methoxyindole
[Molecular Formula]

C14H17NO3
[MDL Number]

MFCD08272248
[Molecular Weight]

247.29
[MOL File]

99275-47-5.mol
Chemical PropertiesBack Directory
[Melting point ]

75-79 °C
[Boiling point ]

357.3±34.0 °C(Predicted)
[density ]

1.10±0.1 g/cm3(Predicted)
[storage temp. ]

Keep Cold
[form ]

solid
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15/h5-9H,1-4H3
[InChIKey]

LPSLGTZFBDZNEK-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)C2=C(C=C(OC)C=C2)C=C1
[CAS DataBase Reference]

99275-47-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36:Irritating to the eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[Hazard Note ]

Harmful/Irritant/Keep Cold
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

Reactant for preparation of:
  • Asymmetric intramolecular Friedel-Crafts alkylation reaction
  • Palladium-catalyzed carboaminoxylations with arylboronic acids and TEMPO catalyst
  • Fluorescent pyrimidopyrimidoindole nucleosides via Suzuki-Miyaura coupling reaction
  • Novel conformationally restricted β- and γ-amino acids
  • 2-(Indolyl) borates, silanes, and silanols
  • DNA minor groove alkylating agents as stable amine-based prodrugs designed for tumor-specific release
[Uses]

Reactant for preparation of:• ;Asymmetric intramolecular Friedel-Crafts alkylation reaction1• ;Palladium-catalyzed carboaminoxylations with arylboronic acids and TEMPO catalyst2• ;Fluorescent pyrimidopyrimidoindole nucleosides via Suzuki-Miyaura coupling reaction3• ;Novel conformationally restricted β- and γ-amino acids4• ;2-(Indolyl) borates, silanes, and silanols5• ;DNA minor groove alkylating agents as stable amine-based prodrugs designed for tumor-specific release6
Spectrum DetailBack Directory
[Spectrum Detail]

1-BOC-5-METHOXYINDOLE(99275-47-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

99275-47-5(sigmaaldrich)
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