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CAS 1042695-82-8
(1S,4R,5R)-benzyl 3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylate
Codes: SIME-017
Application context (from source-drug indications)
Hepatitis CSimeprevir SodiumChronic hepatitis CSimeprevir SodiumMeaslesSimeprevir SodiumMycobacterium tuberculosis infectionSimeprevir Sodium
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Simeprevir Sodium | Tier B — Position early | - |
Position in synthesis routes (up/downstream chain)
Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.
N-methylhex-5-en-1-amine→2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-ol→(1R,2S)-ethyl 1-((1R,2R,4R)-2-(hex-5-en-1-yl(methyl)carbamoyl)-4-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)cyclopentanecarboxamido)-2-vinylcyclopropanecarboxylate→tetraethyl butane-1,2,3,4-tetracarboxylate→4-oxocyclopentane-1,2-dicarboxylic acid→4-hydroxycyclopentane-1,2-dicarboxylic acid→4-hydroxycyclopentane-1,2-dicarboxylic acid→ethyl carbonochloridate→3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid→(1S,4R,5R)-benzyl 3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylate→butane-1,2,3,4-tetracarboxylic acid→(1R,2R,4R)-1-benzyl 2-methyl 4-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)cyclopentane-1,2-dicarboxylate→(1R,2R,4S)-4-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-2-(methoxycarbonyl)cyclopentanecarboxylic acid→(1R,2R,4S)-methyl 2-(hex-5-en-1-yl(methyl)carbamoyl)-4-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)cyclopentanecarboxylate→lithium (1R,2R,4S)-2-(hex-5-en-1-yl(methyl)carbamoyl)-4-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)cyclopentanecarboxylate→(1R,2S)-ethyl 1-amino-2-vinylcyclopropanecarboxylate
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