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CAS 1042695-87-3
(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
Codes：SIME-021
Application context (from source-drug indications)
丙型肝炎西美瑞韦钠慢性丙型肝炎西美瑞韦钠麻疹西美瑞韦钠结核分枝杆菌感染西美瑞韦钠
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| 西美瑞韦钠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
N-methylhex-5-en-1-amine→(1R,4R,5R)-N-(hex-5-en-1-yl)-N-methyl-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxamide→2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-ol→4-hydroxycyclopentane-1,2-dicarboxylic 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→(1R)-quinolin-4-yl((1S,4S,5R)-5-vinylquinuclidin-2-yl)methanol (1R,4R,5R)-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylate→(1R,2R,4R)-methyl 2-(hex-5-en-1-yl(methyl)carbamoyl)-4-hydroxycyclopentanecarboxylate
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