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CAS 81927-55-1
benzyl 2,2,2-trichloroacetimidate
Codes: ATOR-035, ORLI-010
Application context (from source-drug indications)
Type 2 diabetesAtorvastatin Calcium Hydrate/Metformin HydrochlorideHyperlipidaemiaAtorvastatin Calcium Hydrate/Metformin HydrochlorideHypertensionAtorvastatin Calcium Hydrate/IrbesartanHyperlipidaemiaAtorvastatin Calcium Hydrate/IrbesartanHypercholesterolaemiaAtorvastatin Calcium Hydrate/RamiprilHypertensionAtorvastatin Calcium Hydrate/RamiprilHyperlipoproteinaemia type IIIAtorvastatin Calcium HydrateHyperlipidaemiaAtorvastatin Calcium HydrateHeterozygous familial hypercholesterolaemiaAtorvastatin Calcium HydrateHeart failureAtorvastatin Calcium HydrateType 2 diabetesAtorvastatin Calcium HydrateStrokeAtorvastatin Calcium HydrateObesityOrlistatI型高脂蛋白血症OrlistatHypertriglyceridaemiaOrlistat女性不孕OrlistatDiabetesOrlistatObstructive sleep apnoea syndromeOrlistat
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Atorvastatin Calcium Hydrate/Metformin Hydrochloride | Tier C — Watch / trade | - |
| Atorvastatin Calcium Hydrate/Irbesartan | Tier C — Watch / trade | - |
| Atorvastatin Calcium Hydrate/Ramipril | Tier C — Watch / trade | - |
| Atorvastatin Calcium Hydrate | Tier B — Position early | - |
| Orlistat | 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.
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate→2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→diethyl 3-hydroxypentanedioate→benzyl 2,2,2-trichloroacetimidate→diethyl 3-(benzyloxy)pentanedioate→3-(benzyloxy)pentanedioic acid→4-(benzyloxy)dihydro-2H-pyran-2,6(3H)-dione→ATOR-039→(R)-3-(benzyloxy)-5-methoxy-5-oxopentanoic acid→methyl 2-cyanoacetate→(5R)-dimethyl 5-(benzyloxy)-2-cyano-3-oxoheptanedioate→(R)-methyl 3-(benzyloxy)-6-cyano-5-oxohexanoate→(R)-methyl 6-cyano-3-hydroxy-5-oxohexanoate→(3R,5R)-methyl 6-cyano-3,5-dihydroxyhexanoate→methyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→(3R,5R)-methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate→2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→diethyl 3-hydroxypentanedioate→benzyl 2,2,2-trichloroacetimidate→diethyl 3-(benzyloxy)pentanedioate→3-(benzyloxy)pentanedioic acid→4-(benzyloxy)dihydro-2H-pyran-2,6(3H)-dione→ATOR-039→(R)-3-(benzyloxy)-5-methoxy-5-oxopentanoic acid→methyl 2-cyanoacetate→(5R)-dimethyl 5-(benzyloxy)-2-cyano-3-oxoheptanedioate→(R)-methyl 3-(benzyloxy)-6-cyano-5-oxohexanoate→(R)-methyl 6-cyano-3-hydroxy-5-oxohexanoate→(3R,5R)-methyl 6-cyano-3,5-dihydroxyhexanoate→methyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→(3R,5R)-methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate→2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→diethyl 3-hydroxypentanedioate→benzyl 2,2,2-trichloroacetimidate→diethyl 3-(benzyloxy)pentanedioate→3-(benzyloxy)pentanedioic acid→4-(benzyloxy)dihydro-2H-pyran-2,6(3H)-dione→ATOR-039→(R)-3-(benzyloxy)-5-methoxy-5-oxopentanoic acid→methyl 2-cyanoacetate→(5R)-dimethyl 5-(benzyloxy)-2-cyano-3-oxoheptanedioate→(R)-methyl 3-(benzyloxy)-6-cyano-5-oxohexanoate→(R)-methyl 6-cyano-3-hydroxy-5-oxohexanoate→(3R,5R)-methyl 6-cyano-3,5-dihydroxyhexanoate→methyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→(3R,5R)-methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate→2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide→diethyl 3-hydroxypentanedioate→benzyl 2,2,2-trichloroacetimidate→diethyl 3-(benzyloxy)pentanedioate→3-(benzyloxy)pentanedioic acid→4-(benzyloxy)dihydro-2H-pyran-2,6(3H)-dione→ATOR-039→(R)-3-(benzyloxy)-5-methoxy-5-oxopentanoic acid→methyl 2-cyanoacetate→(5R)-dimethyl 5-(benzyloxy)-2-cyano-3-oxoheptanedioate→(R)-methyl 3-(benzyloxy)-6-cyano-5-oxohexanoate→(R)-methyl 6-cyano-3-hydroxy-5-oxohexanoate→(3R,5R)-methyl 6-cyano-3,5-dihydroxyhexanoate→methyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→methyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate→(3R,5R)-methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
(S)-2-hydroxysuccinic acid→cyclohexanone→(S)-2-(3-oxo-1,4-dioxaspiro[4.5]decan-2-yl)acetic acid→(S)-3-(2-((tert-butyldiphenylsilyl)oxy)ethyl)-1,4-dioxaspiro[4.5]decan-2-one→(S)-methyl 4-((tert-butyldiphenylsilyl)oxy)-2-hydroxybutanoate→ORLI-006→(S)-tert-butyl(2-(oxiran-2-yl)ethoxy)diphenylsilane→1-bromodecane→(R)-1-((tert-butyldiphenylsilyl)oxy)tetradecan-3-ol→benzyl 2,2,2-trichloroacetimidate→(R)-((3-(benzyloxy)tetradecyl)oxy)(tert-butyl)diphenylsilane→(R)-3-(benzyloxy)tetradecan-1-ol→(R)-3-(benzyloxy)tetradecanal→(E)-trimethyl(non-2-en-1-yl)silane→(7R,8S,10R)-10-(benzyloxy)-7-vinylhenicosan-8-ol→(((7R,8S,10R)-10-(benzyloxy)-7-vinylhenicosan-8-yl)oxy)(tert-butyl)dimethylsilane→(2S,3S,5R)-5-(benzyloxy)-3-((tert-butyldimethylsilyl)oxy)-2-hexylhexadecanoic acid→(2S,3S,5R)-5-(benzyloxy)-2-hexyl-3-hydroxyhexadecanoic acid→(3S,4S)-4-((R)-2-(benzyloxy)tridecyl)-3-hexyloxetan-2-one→(3S,4S)-3-hexyl-4-((R)-2-hydroxytridecyl)oxetan-2-one→(S)-2-formamido-4-methylpentanoic acid
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