CAS Registry Number: 161282-57-1

Name:

1H-​Pyrrole-​1-​carboxylic acid, 2-​formyl-​, 1,​1-​dimethylethyl ester
2-​Formyl-​1H-​Pyrrole-​1-​carboxylic acid 1,​1-​dimethylethyl ester; 2-​Formylpyrrole-​1-​carboxylic acid tert-​butyl ester; N-​(1,​1-​Dimethylethoxycarbon​yl)​pyrrole-​2-​carboxaldehyde; N-​Boc-​pyrrole-​2-​carboxaldehyde; N-​Butoxycarbonyl-​1H-​pyrrole-​2-​carboxaldehyde 

Chemical Formula: C10H13NO3
Exact Mass: 195.09
Molecular Weight: 195.22
m/z: 195.09 (100.0%), 196.09 (11.3%)

InChI: InChI=1S/C10H13NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h4-7H,1-3H3
InChIKey: NSHLHMBABZKJHP-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1C=CC=C1C=O

Specification

98%

1. (1) Waser, Jerome; Journal of the American Chemical Society 2006, V128(35), P11693-11712 CAPLUS
2. (2) Chakrabarty, Manas; Synthetic Communications 2006, V36(14), P2069-2077 CAPLUS
3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
4. (4) Broomfield, Lewis M.; Dalton Transactions 2009, (39), P8269-8279 CAPLUS