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CAS No.: | 1239262-52-2 |
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Name: | N-Hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]benzamide 2,2,2-Trifluoroacetate |
Article Data: | 2 |
Molecular Structure: | |
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Formula: | C22H22F3N3O4 |
Molecular Weight: | 449.43 |
Synonyms: | N-Hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]benzamide 2,2,2-Trifluoroacetate;Tubastatin A Trifluoroacetate;Tubastatin A;TubaststinA HCl;Tubastatin A_HCl |
PSA: | 94.80000 |
LogP: | 3.75860 |
4-(2-methyl-1,2,3,4-tetrahydro-pyrido[4,3-b]indol-5-ylmethyl)benzoic acid methyl ester
trifluoroacetic acid
N-hydroxy-4-(2-methyl-1,2,3,4-tetrahydro-pyrido[4,3-b]indol-5-ylmethyl)benzamide trifluoroacetic acid salt
Conditions | Yield |
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Stage #1: 4-(2-methyl-1,2,3,4-tetrahydro-pyrido[4,3-b]indol-5-ylmethyl)benzoic acid methyl ester With hydroxylamine hydrochloride; sodium methylate In methanol at 20℃; for 24h; Inert atmosphere; Stage #2: trifluoroacetic acid In water HPLC column; | 31% |
tubastatin A
trifluoroacetic acid
N-hydroxy-4-(2-methyl-1,2,3,4-tetrahydro-pyrido[4,3-b]indol-5-ylmethyl)benzamide trifluoroacetic acid salt
1-Methyl-4-piperidone
N-hydroxy-4-(2-methyl-1,2,3,4-tetrahydro-pyrido[4,3-b]indol-5-ylmethyl)benzamide trifluoroacetic acid salt
Conditions | Yield |
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Multi-step reaction with 3 steps 1.1: sulfuric acid / 1,4-dioxane / 0 - 60 °C 1.2: pH 12 2.1: potassium tert-butylate / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 2.2: 2 h / 80 °C / Inert atmosphere 3.1: hydroxylamine hydrochloride; sodium methylate / methanol / 24 h / 20 °C / Inert atmosphere 3.2: HPLC column View Scheme |
phenylhydrazine
N-hydroxy-4-(2-methyl-1,2,3,4-tetrahydro-pyrido[4,3-b]indol-5-ylmethyl)benzamide trifluoroacetic acid salt
Conditions | Yield |
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Multi-step reaction with 3 steps 1.1: sulfuric acid / 1,4-dioxane / 0 - 60 °C 1.2: pH 12 2.1: potassium tert-butylate / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 2.2: 2 h / 80 °C / Inert atmosphere 3.1: hydroxylamine hydrochloride; sodium methylate / methanol / 24 h / 20 °C / Inert atmosphere 3.2: HPLC column View Scheme |
2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
N-hydroxy-4-(2-methyl-1,2,3,4-tetrahydro-pyrido[4,3-b]indol-5-ylmethyl)benzamide trifluoroacetic acid salt
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: potassium tert-butylate / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 1.2: 2 h / 80 °C / Inert atmosphere 2.1: hydroxylamine hydrochloride; sodium methylate / methanol / 24 h / 20 °C / Inert atmosphere 2.2: HPLC column View Scheme |