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CAS 35675-46-8
3-methyl-4-nitrobenzoyl chloride
Codes: TOLV-002
Application context (from source-drug indications)
Autosomal dominant polycystic kidney diseaseTolvaptanFibrosisTolvaptanHyponatraemiaTolvaptanHeart failureTolvaptanSyndrome of inappropriate antidiuretic hormone secretionTolvaptan
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Tolvaptan | Tier B — Position early | 2028 |
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
3-methyl-4-nitrobenzoyl chloride→S-(2-(4-chlorophenyl)-2-oxoethyl) O-ethyl carbonodithioate→vinyl pivalate→4-(4-chlorophenyl)-1-((ethoxycarbonothioyl)thio)-4-oxobutyl pivalate→7-chloro-4-oxo-1,2,3,4-tetrahydronaphthalen-1-yl pivalate→(Z)-7-chloro-4-(hydroxyimino)-1,2,3,4-tetrahydronaphthalen-1-yl pivalate→3,3,7-trichloro-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl pivalate→7-chloro-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl pivalate→7-chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl pivalate→7-chloro-1-(2-methyl-4-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl pivalate→1-(4-amino-2-methylbenzoyl)-7-chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl pivalate→7-chloro-1-(2-methyl-4-(2-methylbenzamido)benzoyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl pivalate
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
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-fluorobenzaldehyde→diallylamine→5-chloro-2-(diallylamino)benzaldehyde→1-allyl-7-chloro-2,3,4,5-tetrahydro-1H-2,5-epoxybenzo[b]azepine→1-allyl-7-chloro-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one
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
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