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CAS 126-30-7
1,3-Dihydroxy-2,2-dimethylpropane2,2-dimethylpropane-1,3-diol
Codes: (XXXVIII)101438-55-d, IBUP-007, (II)90248-3-a, ETON-021
Application context (from source-drug indications)
Breast cancerPaclitaxel/Encequidar mesylateAdenocarcinomaPaclitaxel/Encequidar mesylateAngiosarcomaPaclitaxel/Encequidar mesylateSolid tumourPaclitaxel/Encequidar mesylateCommon coldIbuprofen/Phenylephrine HydrochlorideFeverIbuprofen/Phenylephrine HydrochlorideHeadacheIbuprofen/Phenylephrine HydrochlorideContraceptionDienogest/Estradiol ValerateMenorrhagiaDienogest/Estradiol ValerateContraceptive useDienogest/Estradiol ValeratePelvic painDienogest/Estradiol ValerateHeadacheDienogest/Estradiol ValerateDysmenorrhoeaDienogest/Estradiol ValerateInsomnia and sleep disordersIbuprofen/Diphenhydramine HydrochloridePainIbuprofen/Diphenhydramine HydrochlorideFeverIbuprofenArthritisIbuprofenPainIbuprofenPatent ductus arteriosusIbuprofenPharyngitisIbuprofenInfluenza virus infectionIbuprofenPancreatic cancerPaclitaxelNon-small cell lung cancerPaclitaxelHodgkin's diseasePaclitaxelSeminomaPaclitaxelOvarian cancerPaclitaxelBreast cancerPaclitaxelContraceptionDienogestEndocrine system disorderDienogestEndometriosisDienogestAdenomyosisDienogestPainDienogestContraceptionEtonogestrelAcquired immunodeficiency syndromeEtonogestrelDysmenorrhoeaEtonogestrel血崩EtonogestrelBenign prostatic hyperplasiaEtonogestrel月经失调Etonogestrel
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Paclitaxel/Encequidar mesylate | Tier C — Watch / trade | - |
| Ibuprofen/Phenylephrine Hydrochloride | Tier C — Watch / trade | - |
| Dienogest/Estradiol Valerate | Tier C — Watch / trade | - |
| Ibuprofen/Diphenhydramine Hydrochloride | Tier C — Watch / trade | - |
| Ibuprofen | Tier C — Watch / trade | - |
| Paclitaxel | Tier B — Position early | - |
| Dienogest | Tier C — Watch / trade | - |
| Etonogestrel | 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.
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
2-bromo-1-(4-isobutylphenyl)propan-1-one→2,2-dimethylpropane-1,3-diol
Estra-4,9-diene-3,17-dione→1,3-Dihydroxy-2,2-dimethylpropane→3,3-(2,2-Dimethyl-1,3-propylenedioxy)estra-5(10),9(11)-dien-17-one→3,3-(2,2-Dimethyl-1,3-propylenedioxy)-17beta,17beta-(methyleneoxy)estra-5(10),9(11)-diene→2-[3,3-(2,2-Dimethyl-1,3-propylenedioxy)-17beta-hydroxyestra-5(10),9(11)-dien-17-yl]acetonitrile
2-bromo-1-(4-isobutylphenyl)propan-1-one→2,2-dimethylpropane-1,3-diol
2-bromo-1-(4-isobutylphenyl)propan-1-one→2,2-dimethylpropane-1,3-diol
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
Estra-4,9-diene-3,17-dione→1,3-Dihydroxy-2,2-dimethylpropane→3,3-(2,2-Dimethyl-1,3-propylenedioxy)estra-5(10),9(11)-dien-17-one→3,3-(2,2-Dimethyl-1,3-propylenedioxy)-17beta,17beta-(methyleneoxy)estra-5(10),9(11)-diene→2-[3,3-(2,2-Dimethyl-1,3-propylenedioxy)-17beta-hydroxyestra-5(10),9(11)-dien-17-yl]acetonitrile
(8S,9S,10R,13S,14S)-13-ethyl-11-methylene-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3H-cyclopenta[a]phenanthrene-3,17(2H)-dione→(13S,14S)-13-ethyl-3-methoxy-6,7,11,12,13,14,15,16-octahydro-17H-cyclopenta[a]phenanthren-17-one→(13S,14S)-13-ethyl-3-methoxy-6,7,8,12,13,14,15,16-octahydro-17H-cyclopenta[a]phenanthren-17-one→2,2-dimethylpropane-1,3-diol→(8S,13S,14S)-13-ethyl-3-methoxy-5',5'-dimethyl-6,7,8,12,13,14,15,16-octahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxane]→(8S,9S,11R,13S,14S)-13-ethyl-3-methoxy-5',5'-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxan]-11-ol→(8S,9S,13S,14S)-13-ethyl-3-methoxy-5',5'-dimethyl-6,8,9,12,13,14,15,16-octahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxan]-11(7H)-one→(8S,9S,11S,13S,14S)-13-ethyl-3-methoxy-5',5'-dimethyl-11-((trimethylsilyl)methyl)-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxan]-11-ol→(8S,9S,11S,13S,14S)-13-ethyl-3-methoxy-5',5'-dimethyl-11-((trimethylsilyl)methyl)-1,4,6,7,8,9,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxan]-11-ol
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