CAS 504-02-9

3,5-Cyclohexanedione1,3-Cyclohexanedione

Codes：(XXXV)101438-55-d、Carteolol Hydrochloride-002

Application context (from source-drug indications)

乳腺癌Paclitaxel/Encequidar mesylate腺癌Paclitaxel/Encequidar mesylate血管肉瘤Paclitaxel/Encequidar mesylate实体瘤Paclitaxel/Encequidar mesylate高眼压盐酸卡替洛尔/拉坦前列素青光眼盐酸卡替洛尔/拉坦前列素开角型青光眼盐酸卡替洛尔/拉坦前列素

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Paclitaxel/Encequidar mesylatePaclitaxel/Encequidar mesylate	Tier C — Watch / trade	-
盐酸卡替洛尔/拉坦前列素Carteolol Hydrochloride/Latanoprost	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.

Paclitaxel/Encequidar mesylate优化路线steps: 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

盐酸卡替洛尔/拉坦前列素优化路线steps: 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

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