1217766-30-7 | Cis-2-boc-5-cbz-6a-h-hexahydro-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

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Description

• Catalog Number: AA54177
• Chemical Name: Cis-2-boc-5-cbz-6a-h-hexahydro-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
• CAS Number: 1217766-30-7
• Molecular Formula: C20H25N2O6-
• Molecular Weight: 389.4223
• MDL Number: MFCD13152250
• SMILES: O=C(N1C[C@H]2[C@@](C1)(CN(C2)C(=O)OC(C)(C)C)C(=O)[O-])OCc1ccccc1

Computed Properties

• Complexity: 625
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Heavy Atom Count: 28
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 6
• XLogP3: 1.7

Upstream Synthesis Route

The compound (3aS,6aS)-2-((Benzyloxy)carbonyl)-5-(tert-butoxycarbonyl)octahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid, commonly referred to as "$name$", serves a crucial role in chemical synthesis due to its unique structural features and reactivity. In organic chemistry, this compound is often utilized as a key building block for the synthesis of complex molecules.Specifically, the tert-butoxycarbonyl (Boc) protecting group present in the structure allows for selective manipulation of functional groups during synthetic transformations. The benzyloxycarbonyl (Cbz) group also provides a handle for further modification or derivatization of the molecule. These protective groups enable chemists to control the regioselectivity and stereochemistry of reactions, making (3aS,6aS)-2-((Benzyloxy)carbonyl)-5-(tert-butoxycarbonyl)octahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid a versatile precursor in organic synthesis.Furthermore, the fused pyrrolidine ring system confers structural rigidity and conformational constraints, which can be advantageous in the design of bioactive molecules or peptidomimetics. The presence of the carboxylic acid moiety offers potential points for conjugation or linkage to other molecules, allowing for the creation of novel chemical entities with tailored properties.Overall, (3aS,6aS)-2-((Benzyloxy)carbonyl)-5-(tert-butoxycarbonyl)octahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid stands as a valuable tool in the synthetic chemist's repertoire, enabling the efficient construction of diverse molecular architectures for applications in drug discovery, material science, and beyond.