636479

1-(tert-Butoxycarbonyl)-5-methylindole

97%

• Synonym(s): tert-Butyl 5-methylindole-1-carboxylate
• Empirical Formula (Hill Notation): C₁₄H₁₇NO₂
• CAS Number: 129822-49-7
• Molecular Weight: 231.29
• MDL number: MFCD06008299
• UNSPSC Code: 12352100
• PubChem Substance ID: 24882785
• NACRES: NA.22

Properties

• assay: 97%
• form: solid
• refractive index: n20/D 1.5410 (lit.)
• bp: 208-209 °C (lit.)
• density: 1.056 g/mL at 25 °C (lit.)
• SMILES string: Cc1ccc2n(ccc2c1)C(=O)OC(C)(C)C
• InChI: 1S/C14H17NO2/c1-10-5-6-12-11(9-10)7-8-15(12)13(16)17-14(2,3)4/h5-9H,1-4H3
• InChI key: NSPCCUXHOQOAJQ-UHFFFAOYSA-N

Description

Application

• Reactant in stereoselective preparation of substituted dihydroindole derivatives via palladium-catalyzed stereoselective carboaminoxylation reactions
• Reactant in conversion of 1-Boc-indoles to 1-Boc-oxindoles
• Reactant in preparation of indolyl aromatic chiral alpha-sulfoxides
• Reactant in preparation of (indolyl)borates, silanes, and silanols

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H301,H317
• pcodes: P280 - P301 + P310 + P330 - P302 + P352
• Hazard Classifications: Acute Tox. 3 Oral - Skin Sens. 1
• Storage Class: 6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: >230.0 °F - closed cup
• flash_point_c: > 110 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Faceshields, Gloves