N-Boc-pyrrole
ALDRICH/425834 - 98%
Synonym: tert-Butyl 1-pyrrolecarboxylate
CAS Number: 5176-27-2
Empirical Formula (Hill Notation): C9H13NO2
Molecular Weight: 167.21
MDL Number: MFCD00209559
Linear Formula: C9H13NO2
Product Type: Chemical
| assay | 98% |
| bp | 91-92 °C/20 mmHg (lit.) |
| density | 1 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C9H13NO2/c1-9(2,3)12-8 |
| InChI key | IZPYBIJFRFWRPR-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(C)(C)OC(=O)n1cccc1 |
| Application: | 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)p • N-boc-pyrrol-2-ylboronic acid |
| General description: | N-Boc-pyrrole is an N-protected pyrrole. It undergoes Diels–Alder reaction with enantiomerically pure allene-1,3-dicarboxylates to form endo-adducts with retention in configurations at two newly generated stereogenic centers. It also undergoes cyclopropanation with methyl phenyldiazoacetate to form both monocyclopropane and dicyclopropane. Its Ir-catalyzed C-H borylation followed by cross coupling with 3-chlorothiophene to form biheterocycle has been reported. |
| Packaging: | 25, 100 mL in poly bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26 |
| WGK Germany | WGK 3 |
| Flash Point(F) | 167.0 °F - closed cup |
| Flash Point(C) | 75 °C - closed cup |
| Purity | 98% |
| bp | 91-92 °C/20 mmHg (lit.) |
| Density | 1 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |