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CAS 1116-98-9
1,1-Dimethylethyl cyanoacetatetert-butyl 2-cyanoacetate
Codes: Atorvastatin-156, PAZU-019
Application context (from source-drug indications)
Cardiac and vascular disordersAtorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilHypertensionAtorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilHyperlipidaemiaAtorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilHeart diseaseAtorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilHyperlipidaemiaAtorvastatin strontiumSubarachnoid haemorrhageAtorvastatin strontiumHypertensionAtorvastatin strontium肺炎链球菌感染Pazufloxacin MesylateSepsisPazufloxacin MesylateInfectious diseasePazufloxacin MesylateCystitisPazufloxacin Mesylate胆管炎Pazufloxacin MesylateCholecystitisPazufloxacin Mesylate
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Atorvastatin/Hydrochlorothiazide/Aspirin/Enalapril | Tier C — Watch / trade | - |
| Atorvastatin strontium | Tier C — Watch / trade | - |
| Pazufloxacin Mesylate | 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.
1,1-Dimethylethyl cyanoacetate→1-Bromo-2-propene→tert-Butyl 3-oxohex-5-enoate→tert-Butyl (3R)-3-hydroxyhex-5-enoate→tert-Butyl [(4R,6S)-6-(bromomethyl)-2-oxo-1,3-dioxan-4-yl]acetate→[(4S,6R)-6-[2-(tert-Butoxy)-2-oxoethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl acetate→(4R,6S)-6-Hydroxymethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-dimethylethyl ester
1,1-Dimethylethyl cyanoacetate→1-Bromo-2-propene→tert-Butyl 3-oxohex-5-enoate→tert-Butyl (3R)-3-hydroxyhex-5-enoate→tert-Butyl [(4R,6S)-6-(bromomethyl)-2-oxo-1,3-dioxan-4-yl]acetate→[(4S,6R)-6-[2-(tert-Butoxy)-2-oxoethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl acetate→(4R,6S)-6-Hydroxymethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-dimethylethyl ester
(S)-2-aminopropan-1-ol→2,3,4,5-tetrafluorobenzoic acid→tert-butyl 2-cyanoacetate→ethyl 4-(2-(tert-butoxy)-1-cyano-2-oxoethyl)-2,3,5-trifluorobenzoate→ethyl 4-(cyanomethyl)-2,3,5-trifluorobenzoate→4-(1-cyanocyclopropyl)-2,3,5-trifluorobenzoic acid→4-(1-carbamoylcyclopropyl)-2,3,5-trifluorobenzoic acid→4-(1-aminocyclopropyl)-2,3,5-trifluorobenzoic acid→4-(1-acetamidocyclopropyl)-2,3,5-trifluorobenzoic acid→potassium 3-ethoxy-3-oxopropanoate→ethyl 3-(4-(1-acetamidocyclopropyl)-2,3,5-trifluorophenyl)-3-oxopropanoate→ethyl (S)-2-(4-(1-acetamidocyclopropyl)-2,3,5-trifluorobenzoyl)-3-((1-hydroxypropan-2-yl)amino)acrylate→ethyl (S)-10-(1-acetamidocyclopropyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate→(S)-10-(1-acetamidocyclopropyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
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