1147422-00-1 | Octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$25.00	$18.00
250mg	95%	in stock	$43.00	$31.00
25g	96%	in stock	$3,713.00	$2,599.00

Description

• Catalog Number: AA19414
• Chemical Name: Octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester
• CAS Number: 1147422-00-1
• Molecular Formula: C12H22N2O2
• Molecular Weight: 226.3153
• MDL Number: MFCD11877862
• SMILES: O=C(N1CCC2C1CCNC2)OC(C)(C)C

Computed Properties

• Complexity: 273
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• Undefined Atom Stereocenter Count: 2
• XLogP3: 1.3

Upstream Synthesis Route

Tert-Butyl octahydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate is a versatile compound widely used in chemical synthesis due to its unique structural properties and reactivity. This compound serves as a key building block in the preparation of various complex organic molecules. Its bicyclic structure and tert-butyl substituent confer steric hindrance, making it an excellent reagent for controlling regioselectivity and stereoselectivity in synthesis reactions.
In particular, tert-Butyl octahydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate is commonly employed in the synthesis of pharmaceuticals, agrochemicals, and materials with specific stereochemical requirements. Its presence in a molecule can enhance its biological activity or material properties by influencing the interactions with target molecules or substrates. Additionally, the tert-butyl ester functionality can serve as a protecting group during multi-step synthesis, allowing for selective manipulation of other functional groups present in the molecule.