<I>N</I>-Boc-pyrrole , 98% , 5176-27-2

Synonym(s):
tert-Butyl 1-pyrrolecarboxylate

CAS NO.：5176-27-2

Empirical Formula: C9H13NO2

Molecular Weight: 167.21

MDL number: MFCD00209559

PRODUCT Properties

• Boiling point: 91-92 °C20 mm Hg(lit.)
• Density: 1 g/mL at 25 °C(lit.)
• refractive index: n20/D 1.4685(lit.)
• Flash point: 167 °F
• storage temp.: Sealed in dry,Room Temperature
• solubility: Acetonitrile, Dichloromethane, Ethyl Acetate, Methanol, Tetrahydrofuran
• form: Solution
• pka: -6.10±0.70(Predicted)
• color: Colorless to yellow
• InChI: InChI=1S/C9H13NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H,1-3H3
• InChIKey: IZPYBIJFRFWRPR-UHFFFAOYSA-N
• SMILES: N1(C(OC(C)(C)C)=O)C=CC=C1

Description and Uses

N-Boc-pyrrole was used in the synthesis of 1-(tert-butoxycarbonyl)-1H-pyrrol-2-ylboronic acid by treating with n-BuLi and subsequent reaction with trimethyl borate.
It may be used as starting material in the synthesis of the following:

• tropane drivatives
• N-boc-2-(4-methoxyphenyl)pyrrole
• N-boc-pyrrol-2-ylboronic acid

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• HS Code: 2933998090