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CAS 75-86-5
2-hydroxy-2-methylpropanenitrile2-Hydroxy-2-methylpropanenitrile
Codes: ENZA-005, Betamethasone-002, RALT-001
Application context (from source-drug indications)
Hormone-sensitive prostate cancerEnzalutamideCastration-resistant prostate cancerEnzalutamideProstate cancerEnzalutamideBacterial and fungal infectionBetamethasone/Clotrimazole/Gentamicin SulfateHIV infectionRaltegravir PotassiumSclerosing cholangitisRaltegravir PotassiumHTLV-I infectionRaltegravir PotassiumChronic renal impairmentRaltegravir PotassiumRelapsing-remitting multiple sclerosisRaltegravir PotassiumHypertriglyceridaemiaRaltegravir PotassiumUlcerative proctitisBetamethasoneHypersensitivity reactionBetamethasoneRheumatoid arthritisBetamethasoneCutaneous lupus erythematosusBetamethasoneDermatitisBetamethasoneAsthmaBetamethasone
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Enzalutamide | Tier A — Act now | 2027 |
| Betamethasone/Clotrimazole/Gentamicin Sulfate | Tier C — Watch / trade | - |
| Raltegravir Potassium | Tier B — Position early | - |
| Betamethasone | 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.
Betamethasone/Clotrimazole/Gentamicin SulfateOptimised routesteps: 6total yield: 80g(Betamethasone-005)
9-Hydroxyandrost-4-ene-3,17-dione→2-Hydroxy-2-methylpropanenitrile→(17alpha)-9,17-Dihydroxy-3-oxoandrost-4-ene-17-carbonitrile→(8S,9R,10S,13S,14S,17R)-9,17-Dihydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile→(16beta)-17-Hydroxy-16-methylpregna-4,9(11)-diene-3,20-dione→(8S,10S,13S,14S)-10,13-Dimethyl-1,2,4,7,8,10,12,13,14,15-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile→(4'aS,6'aS,6'bR,7'aR,8'aS,8'bS)-4'a,6'a-Dimethyl-3',4',4'a,6',6'a,7'a,8',8'a,8'b,9'-decahydrospiro[1,3-dioxolane-2,2'-naphtho[2',1':4,5]indeno[1,2-b]oxirene]-6'b(1'H)-carbonitrile→Methylmagnesium chloride→1-[(8S,10S,13S,14S,16S,17R)-17-Hydroxy-10,13,16-trimethyl-1,2,6,7,8,10,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl]ethan-1-one
2-hydroxy-2-methylpropanenitrile→2-amino-2-methylpropanenitrile→benzyl (2-cyanopropan-2-yl)carbamate→benzyl (Z)-(1-amino-1-(hydroxyimino)-2-methylpropan-2-yl)carbamate→methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate→methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate→(4-fluorophenyl)methanamine→benzyl (2-(4-((4-fluorobenzyl)carbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl)carbamate→2-(2-aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide→5-methyl-1,3,4-oxadiazole-2-carbonyl chloride→5-methyl-1H-tetrazole→ethyl 2-chloro-2-oxoacetate→potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate
9-Hydroxyandrost-4-ene-3,17-dione→2-Hydroxy-2-methylpropanenitrile→(17alpha)-9,17-Dihydroxy-3-oxoandrost-4-ene-17-carbonitrile→(8S,9R,10S,13S,14S,17R)-9,17-Dihydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile→(16beta)-17-Hydroxy-16-methylpregna-4,9(11)-diene-3,20-dione→(8S,10S,13S,14S)-10,13-Dimethyl-1,2,4,7,8,10,12,13,14,15-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile→(4'aS,6'aS,6'bR,7'aR,8'aS,8'bS)-4'a,6'a-Dimethyl-3',4',4'a,6',6'a,7'a,8',8'a,8'b,9'-decahydrospiro[1,3-dioxolane-2,2'-naphtho[2',1':4,5]indeno[1,2-b]oxirene]-6'b(1'H)-carbonitrile→Methylmagnesium chloride→1-[(8S,10S,13S,14S,16S,17R)-17-Hydroxy-10,13,16-trimethyl-1,2,6,7,8,10,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl]ethan-1-one
Intermediates available on this site
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