Compound Q&A
How is (3S,6S,9S,16R,21aS)-16-Allyl-3-[(2S)-2-butanyl]-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone (CAS: 6686-70-0) typically synthesized?
Answer
![(3S,6S,9S,16R,21aS)-16-Allyl-3-[(2S)-2-butanyl]-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone](https://static.chemtradehub.com/structs/668/6686-70-0-bcb5.webp "(3S,6S,9S,16R,21aS)-16-Allyl-3-[(2S)-2-butanyl]-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone")
This compound is usually synthesized via a multi-step process involving allylation, alkylation, and cyclization reactions. Common catalysts include organometallic compounds like lithium aluminum hydride (LAH) and tin(II) chloride. The synthesis yields around 70-80% of the desired product with good selectivity.
About
CAS No
6686-70-0
English Name
(3S,6S,9S,16R,21aS)-16-Allyl-3-[(2S)-2-butanyl]-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone
Molecular Formula
C29H47N5O7
Molecular Weight
577.72 g/mol
SMILES
CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC=C)C)C)C(C)C)C
InChIKey
XIYSEKITPHTMJT-OCCJOITDSA-N
Last Updated: 2026-03-22 19:38
![(3S,6S,9S,16R,21aS)-16-Allyl-3-[(2S)-2-butanyl]-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone — MedChemExpress LLC](https://static.chemtradehub.com/suppliers/67ced0fb2b2de6e8e95a67fd/67ced0fb2b2de6e8e95a67fd-logo.webp){kind=logo}