Compound Q&A
How is 4-[3-[7-[4-[1-[2-[2-(4-acetamidoanilino)propanoyl]pyrrolidin-1-yl]ethyl]-4',5',6'-triiodo-1'-(3-sulfopropyl)spiro[cyclohexane-1,3'-indole]-2'-ylidene]hepta-1,3,5-trienyl]-5,6,7-triiodo-1,4,4-trimethyl-1H-naphthalen-2-yl]butane-1-sulfonic acid (CAS: 90317-77-4) typically synthesized?
Answer
![4-[3-[7-[4-[1-[2-[2-(4-acetamidoanilino)propanoyl]pyrrolidin-1-yl]ethyl]-4',5',6'-triiodo-1'-(3-sulfopropyl)spiro[cyclohexane-1,3'-indole]-2'-ylidene]hepta-1,3,5-trienyl]-5,6,7-triiodo-1,4,4-trimethyl-1H-naphthalen-2-yl]butane-1-sulfonic acid](https://static.chemtradehub.com/structs/903/90317-77-4-e238.webp "4-[3-[7-[4-[1-[2-[2-(4-acetamidoanilino)propanoyl]pyrrolidin-1-yl]ethyl]-4',5',6'-triiodo-1'-(3-sulfopropyl)spiro[cyclohexane-1,3'-indole]-2'-ylidene]hepta-1,3,5-trienyl]-5,6,7-triiodo-1,4,4-trimethyl-1H-naphthalen-2-yl]butane-1-sulfonic acid")
The synthesis of this compound involves multistep organic reactions including condensations, acetylation, sulfonation, and halogenation. Catalysts such as titanium tetrachloride and triphenylphosphine are used for the introduction of halogen and sulfonic acid functionalities. The overall yield is moderate due to the complexity of the structure.
About
CAS No
90317-77-4
English Name
4-[3-[7-[4-[1-[2-[2-(4-acetamidoanilino)propanoyl]pyrrolidin-1-yl]ethyl]-4',5',6'-triiodo-1'-(3-sulfopropyl)spiro[cyclohexane-1,3'-indole]-2'-ylidene]hepta-1,3,5-trienyl]-5,6,7-triiodo-1,4,4-trimethyl-1H-naphthalen-2-yl]butane-1-sulfonic acid
Molecular Formula
C57H68I6N4O8S2
Molecular Weight
1762.7 g/mol
SMILES
CC1C2=CC(=C(C(=C2C(C(=C1CCCCS(=O)(=O)O)C=CC=CC=CC=C3C4(CCC(CC4)C(C)N5CCCC5C(=O)C(C)NC6=CC=C(C=C6)NC(=O)C)C7=C(C(=C(C=C7N3CCCS(=O)(=O)O)I)I)I)(C)C)I)I)I
InChIKey
ZRPFUYPSSRYVRN-UHFFFAOYSA-N
Last Updated: 2025-10-16 16:48
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