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CAS 2516-95-2
5-chloro-2-nitrobenzoic acid
Codes: TOLV-024, Lopix-020
Application context (from source-drug indications)
Autosomal dominant polycystic kidney diseaseTolvaptanFibrosisTolvaptanHyponatraemiaTolvaptanHeart failureTolvaptanSyndrome of inappropriate antidiuretic hormone secretionTolvaptanPruritusMaralixibat Chloride进行性家族性肝内胆汁淤积症Maralixibat ChlorideAlagille综合征Maralixibat Chloride胆汁淤积Maralixibat ChlorideLiver diseaseMaralixibat Chloride肝内胆汁淤积Maralixibat Chloride
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Tolvaptan | Tier B — Position early | 2028 |
| Maralixibat Chloride | Tier C — Watch / trade | - |
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.
7-chloro-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one→3-methyl-4-nitrobenzoyl chloride→7-chloro-1-(2-methyl-4-nitrobenzoyl)-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one→1-(4-amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one→2-methylbenzoyl chloride→N-(4-(7-chloro-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide→5-chloro-2-nitrobenzoic acid→methyl 5-chloro-2-nitrobenzoate→methyl 2-amino-5-chlorobenzoate→methyl 5-chloro-2-((4-methylphenyl)sulfonamido)benzoate→ethyl 4-bromobutanoate→methyl 5-chloro-2-((N-(4-ethoxy-4-oxobutyl)-4-methylphenyl)sulfonamido)benzoate→methyl 7-chloro-5-oxo-1-tosyl-2,3,4,5-tetrahydro-1H-benzo[b]azepine-4-carboxylate→7-chloro-1-tosyl-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one
1-Benzothiepin-4-ol, 3,3-dibutyl-7-(dimethylamino)-2,3,4,5-tetrahydro-5-(4-methoxyphenyl)-, 1,1-dioxide, (4R,5R)-rel→1-Benzothiepin-4-ol, 3,3-dibutyl-7-(dimethylamino)-2,3,4,5-tetrahydro-5-(4-hydroxyphenyl)-, 1,1-dioxide, (4R,5R)→1,4-bis(chloromethyl)benzene→1-Benzothiepin-4-ol, 3,3-dibutyl-5-[4-[[4-(chloromethyl)phenyl]methoxy]phenyl]-7-(dimethylamino)-2,3,4,5-tetrahydro-, 1,1-dioxide, (4R,5R)→5-chloro-2-nitrobenzoic acid→anisole→(2-chloro-5-nitrophenyl)(4-methoxyphenyl)methanone→1-chloro-2-(4-methoxybenzyl)-4-nitrobenzene→2-butyl-2-((2-(4-methoxybenzyl)-4-nitrophenylthio)methyl)hexanal→2-butyl-2-((2-(4-methoxybenzyl)-4-nitrophenylsulfonyl)methyl)hexanal→2-((4-amino-2-(4-methoxybenzyl)phenylsulfonyl)methyl)-2-butylhexanal→benzyl 4-(2-butyl-2-formylhexylsulfonyl)-3-(4-methoxybenzyl)phenylcarbamate→Lopix-028→Lopix-029
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