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CAS 75-52-5
Nitrocarbol
Codes: Atorvastatin-129, (V)859946-1-a, (IV)700647-3-a
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 strontiumBiliary tract cancerTasurgratinibBile duct cancerTasurgratinibSolid tumourTasurgratinibCholangiocarcinomaTasurgratinibBreast cancerTasurgratinibHepatic function declineTasurgratinib蠕形螨性睑缘炎Lotilaner螨虫感染Lotilaner莱姆病LotilanerRosaceaLotilaner睑板腺功能障碍Lotilaner
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Atorvastatin/Hydrochlorothiazide/Aspirin/Enalapril | Tier C — Watch / trade | - |
| Atorvastatin strontium | Tier C — Watch / trade | - |
| Tasurgratinib | Tier C — Watch / trade | - |
| Lotilaner | 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.
Atorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilOptimised routesteps: 11total yield: 25g(Atorvastatin-017)
1,4-Epoxy-1,3-butadiene→(2E)-1,1,4,4-Tetramethoxybut-2-ene→2,2-Dimethoxyacetaldehyde→Nitrocarbol→tert-Butyl 4-bromo-3-oxobutanoate→1,1-Dimethoxy-3-nitropropan-2-ol→(1E)-3,3-Dimethoxy-1-nitroprop-1-ene→(2E)-3-Nitroprop-2-enal→Bromido(4-tert-butoxy-2,4-dioxobutyl)zinc→tert-Butyl (5S,6E)-5-hydroxy-7-nitro-3-oxohept-6-enoate→4-Methylene-2-oxetanone→tert-Butyl (3R,5S,6E)-3,5-dihydroxy-7-nitrohept-6-enoate→2-Propanone→tert-Butyl [(4R,6S)-2,2-dimethyl-6-[(E)-2-nitroethenyl]-1,3-dioxan-4-yl]acetate→(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-1,3-Dioxane-4-acetic acid 1,1-dimethylethyl ester
Atorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilOptimised routesteps: 15total yield: 36.3gAtorvastatin-152)
(2R)-2-Aminobutanedioic acid→(2R)-2-Chlorobutanedioic acid→(2R)-2-Chlorobutane-1,4-diol→2-[(2S)-Oxiran-2-yl]ethan-1-ol→(4S,6S)-4-[2-(Benzyloxy)ethyl]-6-(bromomethyl)-1,3-dioxan-2-one→(2S)-2-[2-(Benzyloxy)ethyl]oxirane→(3R)-1-(Benzyloxy)hex-5-en-3-ol→(3R)-1-(Benzyloxy)hex-5-en-3-yl tert-butyl carbonate→(4S,6S)-4-[2-(Benzyloxy)ethyl]-6-(bromomethyl)-2,2-dimethyl-1,3-dioxane→6-O-Acetyl-1-O-benzyl-2,4-dideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexitol→1-O-Benzyl-2,4-dideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexitol→6-O-Benzyl-3,5-dideoxy-2,4-O-(1-methylethylidene)-L-erythro-hexose→2-[(4R,6S)-6-[2-(Benzyloxy)ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanamine→(6xi)-1-O-Benzyl-2,4,7-trideoxy-3,5-O-(1-methylethylidene)-7-nitro-D-erythro-heptitol→(6xi)-6-O-Acetyl-1-O-benzyl-2,4,7-trideoxy-3,5-O-(1-methylethylidene)-7-nitro-D-erythro-heptitol→(4S,6R)-4-[2-(Benzyloxy)ethyl]-2,2-dimethyl-6-(2-nitroethyl)-1,3-dioxane→2-Propanone→Nitrocarbol→Chlorido(ethenyl)magnesium
1,4-Epoxy-1,3-butadiene→(2E)-1,1,4,4-Tetramethoxybut-2-ene→2,2-Dimethoxyacetaldehyde→Nitrocarbol→tert-Butyl 4-bromo-3-oxobutanoate→1,1-Dimethoxy-3-nitropropan-2-ol→(1E)-3,3-Dimethoxy-1-nitroprop-1-ene→(2E)-3-Nitroprop-2-enal→Bromido(4-tert-butoxy-2,4-dioxobutyl)zinc→tert-Butyl (5S,6E)-5-hydroxy-7-nitro-3-oxohept-6-enoate→4-Methylene-2-oxetanone→tert-Butyl (3R,5S,6E)-3,5-dihydroxy-7-nitrohept-6-enoate→2-Propanone→tert-Butyl [(4R,6S)-2,2-dimethyl-6-[(E)-2-nitroethenyl]-1,3-dioxan-4-yl]acetate→(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-1,3-Dioxane-4-acetic acid 1,1-dimethylethyl ester
(2R)-2-Aminobutanedioic acid→(2R)-2-Chlorobutanedioic acid→(2R)-2-Chlorobutane-1,4-diol→2-[(2S)-Oxiran-2-yl]ethan-1-ol→(4S,6S)-4-[2-(Benzyloxy)ethyl]-6-(bromomethyl)-1,3-dioxan-2-one→(2S)-2-[2-(Benzyloxy)ethyl]oxirane→(3R)-1-(Benzyloxy)hex-5-en-3-ol→(3R)-1-(Benzyloxy)hex-5-en-3-yl tert-butyl carbonate→(4S,6S)-4-[2-(Benzyloxy)ethyl]-6-(bromomethyl)-2,2-dimethyl-1,3-dioxane→6-O-Acetyl-1-O-benzyl-2,4-dideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexitol→1-O-Benzyl-2,4-dideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexitol→6-O-Benzyl-3,5-dideoxy-2,4-O-(1-methylethylidene)-L-erythro-hexose→2-[(4R,6S)-6-[2-(Benzyloxy)ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanamine→(6xi)-1-O-Benzyl-2,4,7-trideoxy-3,5-O-(1-methylethylidene)-7-nitro-D-erythro-heptitol→(6xi)-6-O-Acetyl-1-O-benzyl-2,4,7-trideoxy-3,5-O-(1-methylethylidene)-7-nitro-D-erythro-heptitol→(4S,6R)-4-[2-(Benzyloxy)ethyl]-2,2-dimethyl-6-(2-nitroethyl)-1,3-dioxane→2-Propanone→Nitrocarbol→Chlorido(ethenyl)magnesium
3,4-Dihydroxybenzaldehyde→1-Bromo-2-methoxyethane→3-Hydroxy-4-(2-methoxyethoxy)benzaldehyde→3-(Benzyloxy)-4-(2-methoxyethoxy)benzaldehyde→Nitrocarbol→2-(Benzyloxy)-1-(2-methoxyethoxy)-4-[(E)-2-nitroethenyl]benzene→6-(2-Methoxyethoxy)-1H-indol-5-ol→N-(4-Chloropyridin-2-yl)acetamide→2-Amino-4-chloropyridine→N-(4-[[6-(2-Methoxyethoxy)-1H-indol-5-yl]oxy]pyridin-2-yl)acetamide→4-[[6-(2-Methoxyethoxy)-1H-indol-5-yl]oxy]pyridin-2-amine→Phenyl methylcarbamate→Aminomethane hydrochloride→Carbonochloridic acid phenyl ester→1,4-Dioxane-2,5-diol→5-[(2-Aminopyridin-4-yl)oxy]-6-(2-methoxyethoxy)-N-methyl-1H-indole-1-carboxamide→4-[1-(tert-Butoxycarbonyl)piperidin-4-yl]benzoic acid→6-(2-Methoxyethoxy)-N-methyl-5-([2-[4-(piperidin-4-yl)benzamido]pyridin-4-yl]oxy)-1H-indole-1-carboxamide→2-Oxidanylethanal
2-Formyl-3-methylthiophene→5-Bromo-3-methylthiophene-2-carbaldehyde→5-Bromo-3-methylthiophene-2-carboxylic acid→Nitrocarbol→3-Methyl-5-(nitromethyl)thiophene-2-carboxylic acid→5-Carboxy-4-methylthiophene-2-carbonitrile oxide→1,2,3-Trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene→3-Methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophene-2-carboxylic acid→2-Amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride
Intermediates available on this site
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| Supplier | Product | Price band | MOQ | Lead time | Qualifications | Action |
|---|---|---|---|---|---|---|
| Unibest Nantong cGMP Site | 2-bromo-3-methyl-5-acetylthiophene Pharmaceutical Intermediates | On request | On request | On request | — | |
| Unibest Taizhou GMP-like Site | methyl 5-acetyl-3-methylthiophene-2-carboxylate Pharmaceutical Intermediates | On request | On request | On request | — | |
| Qualified Partner — East China API Works | 5-acetyl-3-methyl-2-Thiophenecarboxylic acid Pharmaceutical Intermediates | On request | On request | On request | — |
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