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CAS 78-39-7

1,1,1-Triethoxyethane

Codes:(VIIIb)638294-1-a,(VIIIb)638294-1-e、(X)638294-2-a、(VIIb)638294-5-a、(Vb)638294-16-a、(VIIIb)638294-17-a、(VIIIa)638294-18-a、(IX)638294-21-a

Application context (from source-drug indications)

收缩性心力衰竭非奈利酮舒张期心力衰竭非奈利酮心脏衰竭非奈利酮慢性肾功能不全非奈利酮糖尿病肾病非奈利酮二型糖尿病非奈利酮

Source drugs (routes using this intermediate)

DrugTierExpiry
非奈利酮FinerenoneTier C — Watch / trade2030

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.

非奈利酮优化路线steps: 4total yield: /
2-Methoxy-4-cyanobenzaldehyde→4-Amino-5-methylpyridin-2(1H)-one→1,1,1-Triethoxyethane→4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid→2,8-Dimethyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carbonitrile→4-(4-Cyano-2-methoxyphenyl)-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carbonitrile→1-Cyano-2-propanone→4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile→2-Methylidene-3-oxobutanenitrile→2-Methoxy-4-cyanobromobenzene
非奈利酮优化路线steps: 5total yield: /
2,2-Dimethyl-6-methyl-1,3-dioxin-4-one→(4-Methylphenyl)methyl 3-oxobutanoate→3-Oxobutyric acid benzyl ester→1,1-Dimethylethyl 3-oxobutanoate→Bicyclo[2.2.1]hept-5-en-2-yl 3-oxobutanoate→2-(4-Nitrophenyl)ethyl 3-oxobutanoate→2-Methoxy-4-cyanobenzaldehyde→(4-Methylphenyl)methyl 2-[(4-cyano-2-methoxyphenyl)methylidene]-3-oxobutanoate→2-[(4-Cyano-2-methoxyphenyl)methylene]-3-oxobutanoic acid phenylmethyl ester→tert-Butyl 2-[(4-cyano-2-methoxyphenyl)methylidene]-3-oxobutanoate→Bicyclo[2.2.1]hept-5-en-2-yl 2-[(4-cyano-2-methoxyphenyl)methylidene]-3-oxobutanoate→2-(4-Nitrophenyl)ethyl 2-[(4-cyano-2-methoxyphenyl)methylidene]-3-oxobutanoate→4-Amino-5-methylpyridin-2(1H)-one→(4-Methylphenyl)methyl 4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate→Benzyl 4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate→tert-Butyl 4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate→Bicyclo[2.2.1]hept-5-en-2-yl 4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate→2-(4-Nitrophenyl)ethyl 4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate→(Diethoxymethoxy)ethane→1,1,1-Triethoxyethane→(4-Methylphenyl)methyl 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→Benzyl 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→tert-Butyl 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→2-(4-Nitrophenyl)ethyl 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→(4-Methylphenyl)methyl (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→Benzyl (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→tert-Butyl (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→Bicyclo[2.2.1]hept-5-en-2-yl (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→2-(4-Nitrophenyl)ethyl (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→(4S)-4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid→Benzyl (4S)-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate→Bicyclo[2.2.1]hept-5-en-2-yl (4S)-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
非奈利酮优化路线steps: 4total yield: /
1-[(4S)-4-Benzyl-2-oxo-1,3-oxazolidin-3-yl]butane-1,3-dione→2-Methoxy-4-cyanobenzaldehyde→4-Amino-5-methylpyridin-2(1H)-one→4-[(4S)-3-[(4S)-4-Benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile→(Diethoxymethoxy)ethane→1,1,1-Triethoxyethane→4-[(4S)-3-[(4S)-4-Benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile→(4S)-4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
非奈利酮优化路线steps: 5total yield: /
非奈利酮优化路线steps: 7total yield: /
2,2-Dimethyl-6-methyl-1,3-dioxin-4-one→(4-Nitrophenyl)methyl 3-oxobutanoate→(4-Methoxyphenyl)methyl 3-oxobutanoate→2-Methoxy-4-cyanobenzaldehyde→(4-Nitrophenyl)methyl (2E)-2-[(4-cyano-2-methoxyphenyl)methylidene]-3-oxobutanoate→(4-Methoxyphenyl)methyl (2E)-2-[(4-cyano-2-methoxyphenyl)methylidene]-3-oxobutanoate→4-Amino-5-methylpyridin-2(1H)-one→(4-Nitrophenyl)methyl 4-(4-cyano-2-methoxyphenyl)-5-hydroxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→(4-Methoxyphenyl)methyl 4-(4-cyano-2-methoxyphenyl)-5-hydroxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→(4-Nitrophenyl)methyl (4S)-4-(4-cyano-2-methoxyphenyl)-5-hydroxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→1,1,1-Triethoxyethane→(Diethoxymethoxy)ethane→(4-Nitrophenyl)methyl (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→(4-Methoxyphenyl)methyl (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→(4-Nitrophenyl)methyl 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→(4-Methoxyphenyl)methyl 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate→(4S)-4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
非奈利酮优化路线steps: 6total yield: /
(R)-4-(Phenylmethyl)-2-oxazolidinone→3-Hydroxy 3-butenoic acid beta-lactone→1-[(4R)-4-Benzyl-2-oxo-1,3-oxazolidin-3-yl]butane-1,3-dione→2-Methoxy-4-cyanobenzaldehyde→4-[2-[(4R)-4-Benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-oxobut-1-en-1-yl]-3-methoxybenzonitrile→4-Amino-5-methylpyridin-2(1H)-one→4-[3-[(4R)-4-Benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile→4-[(4S)-3-[(4R)-4-Benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile→1,1,1-Triethoxyethane→4-[(4S)-3-[(4R)-4-Benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile

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SupplierProductPrice bandMOQLead timeQualifications
Unibest Nantong cGMP Site4-Bromo-2-methoxybenzaldehyde
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Unibest Taizhou GMP-like Site4-formyl-3-methoxybenzonitrile
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Qualified Partner — East China API Works4-AMino-5-Methylpyridin-2-ol
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Unibest Nantong cGMP Site2-chloro-5-methylpyridin-4-amine
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Unibest Taizhou GMP-like Site2-Cyanoethyl 3-oxobutanoate
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Qualified Partner — East China API Works2-cyanoethyl 4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
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