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CAS 504-02-9

3,5-Cyclohexanedione1,3-Cyclohexanedionecyclohexane-1,3-dione

Codes: (XXXV)101438-55-d, Carteolol Hydrochloride-002, NITI-001

Application context (from source-drug indications)

Breast cancerPaclitaxel/Encequidar mesylateAdenocarcinomaPaclitaxel/Encequidar mesylateAngiosarcomaPaclitaxel/Encequidar mesylateSolid tumourPaclitaxel/Encequidar mesylateOcular hypertensionCarteolol Hydrochloride/LatanoprostGlaucomaCarteolol Hydrochloride/LatanoprostOpen-angle glaucomaCarteolol Hydrochloride/LatanoprostPancreatic cancerPaclitaxelNon-small cell lung cancerPaclitaxelHodgkin's diseasePaclitaxelSeminomaPaclitaxelOvarian cancerPaclitaxelBreast cancerPaclitaxelHypertensionCarteolol HydrochlorideOcular hypertensionCarteolol HydrochlorideGlaucomaCarteolol HydrochlorideAngina pectorisCarteolol HydrochlorideArrhythmiaCarteolol Hydrochloride黑尿症Nitisinone酪氨酸血症Nitisinone白化病Nitisinone失明Nitisinone

Source drugs (routes using this intermediate)

DrugTierExpiry
Paclitaxel/Encequidar mesylateTier C — Watch / trade-
Carteolol Hydrochloride/LatanoprostTier C — Watch / trade-
PaclitaxelTier B — Position early-
Carteolol HydrochlorideTier C — Watch / trade-
NitisinoneTier 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.

Paclitaxel/Encequidar mesylateOptimised routesteps: 6total yield: /
1,3-Dihydroxy-2,2-dimethylpropane→2,2-Dimethylcyclohexane-1,3-dione→2,2,4-Trimethylcyclohex-3-en-1-one→2,4,6-Triisopropyl-N'-[(1Z)-2,2,4-trimethylcyclohex-3-en-1-ylidene]benzenesulfonohydrazide→2,4,6-Triisopropylbenzenesulfonohydrazide→3,3,7,7-Tetramethyl-1,5-dioxaspiro[5.5]undecan-8-one→3,3,7,7,9-Pentamethyl-1,5-dioxaspiro[5.5]undec-8-ene→3,5-Cyclohexanedione→4-Methyl-N'-[(8E)-3,3,7,7-tetramethyl-1,5-dioxaspiro[5.5]undec-8-ylidene]benzenesulfonohydrazide→4-Methylbenzenesulfonhydrazide→Iodomethane
Carteolol Hydrochloride/LatanoprostOptimised routesteps: 4total yield: /
Benzene-1,3-diol→1,3-Cyclohexanedione→3-Aminocyclohex-2-en-1-one→2-Propenoic acid→1,2,3,4,5,6,7,8-Octahydroquinoline-2,5-dione→5-Hydroxy-1,2,3,4-tetrahydroquinolin-2-one
PaclitaxelOptimised routesteps: 6total yield: /
1,3-Dihydroxy-2,2-dimethylpropane→2,2-Dimethylcyclohexane-1,3-dione→2,2,4-Trimethylcyclohex-3-en-1-one→2,4,6-Triisopropyl-N'-[(1Z)-2,2,4-trimethylcyclohex-3-en-1-ylidene]benzenesulfonohydrazide→2,4,6-Triisopropylbenzenesulfonohydrazide→3,3,7,7-Tetramethyl-1,5-dioxaspiro[5.5]undecan-8-one→3,3,7,7,9-Pentamethyl-1,5-dioxaspiro[5.5]undec-8-ene→3,5-Cyclohexanedione→4-Methyl-N'-[(8E)-3,3,7,7-tetramethyl-1,5-dioxaspiro[5.5]undec-8-ylidene]benzenesulfonohydrazide→4-Methylbenzenesulfonhydrazide→Iodomethane
Carteolol HydrochlorideOptimised routesteps: 4total yield: /
Benzene-1,3-diol→1,3-Cyclohexanedione→3-Aminocyclohex-2-en-1-one→2-Propenoic acid→1,2,3,4,5,6,7,8-Octahydroquinoline-2,5-dione→5-Hydroxy-1,2,3,4-tetrahydroquinolin-2-one
NitisinoneOriginator routesteps: 1total yield: /
cyclohexane-1,3-dione→2-nitro-4-(trifluoromethyl)benzoyl chloride

Intermediates available on this site

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This is a CAS-level registry record: registrations across routes are merged. Supplier offers and buyer demands will be matched on this CAS as the primary key.