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[ CAS No. 89639-36-1 ]

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Chemical Structure| 89639-36-1
Chemical Structure| 89639-36-1
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Product Details of [ 89639-36-1 ]

CAS No. :89639-36-1 MDL No. :MFCD12196974
Formula : C6H7ClN2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :142.59 g/mol Pubchem ID :-
Synonyms :

Safety of [ 89639-36-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 89639-36-1 ]

  • Downstream synthetic route of [ 89639-36-1 ]

[ 89639-36-1 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 4565-31-5 ]
  • [ 89639-36-1 ]
  • C12H9ClN2O2S [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol; at 50℃; for 2h;Inert atmosphere; To a solution of <strong>[4565-31-5]5-formyl-thiophene-2-carboxylic acid</strong> (19.7g, 126mmol) in methanol (200mL) under nitrogen atmosphere was added 5-chloro-2-methylpyrid ine-3-amine ( 1 7.99g, 126mmol). The mixture was heated to 50°C for 2h; the reaction mixture was concentrated under reduced pressure to obtain a solid. The solid material was dissolved in methanol (200mL) and cooled to 0°C then sodium cyanoborohydride (9.5 1 g, 1 51 mmol) was added over 10 minutes and the resulting mixture was stirred at room temperature for 14 h. The reaction mixture was quenched by adding IN HC1 ( l OOmL) to bring pH=4, concentrated under vacuum. The residue was diluted with water ( l OOm L). The resulting tan suspension was filtered and dried to get crude solid (28 g, crude). The solid was triturated with ethyl acetate (50mL) to get 5- [(5-chloro-2-methyl-3- pyridinyl)amino]methyl} -2-thiophenecarboxylic acid (27g) as a pale yellow solid.
  • 2
  • [ 21427-62-3 ]
  • [ 89639-36-1 ]
  • 3
  • [ 1211533-93-5 ]
  • [ 89639-36-1 ]
YieldReaction ConditionsOperation in experiment
With tin(II) chloride dihdyrate; In ethyl acetate; at 85.0℃; for 3h;Inert atmosphere; To a solution of <strong>[1211533-93-5]5-chloro-2-methyl-3-nitropyridine</strong> (26g, 15 1 mmol) in ethyl acetate (850mL) under nitrogen atmosphere was added SnC12.2H20 (136g, 603 mmol) at room temperature. The reaction mixture was heated to 85C for 3h. Concentration of the reaction mixture under reduced pressure afforded a pale yellow slurry which was basified with I N NaOH solution (520mL). The resulting mixture was diluted withdichloromethane (750mL) and stirred for 10 minutes. The mixture was then fi ltered through a celite pad to remove undissolved solids. The filtrate's organic layer was separated, dried over anhydrous Na2S04 and concentrated under reduced pressure. The crude compound was purified by column chromatography on silica gel ( 100-200 mesh) using 0-35% ethyl acetate in petroleum ether to afford desired 5-chloro-2-methylpyridine- 3-amine (18 g) as a brown solid.
  • 4
  • [ 89639-36-1 ]
  • 5-[(5-chloro-2-methylpyridin-3-yl)amino]methyl}-N-{(S)-3-cyclopentyl-1-[(3-hydroxycyclobutyl)amino]-1-oxopropan-2-yl}thiophene-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: methanol / 2 h / 50 °C / Inert atmosphere 2.1: sodium cyanoborohydride / methanol / 14 h / 0 - 20 °C / Inert atmosphere 2.2: pH 4 3.1: N-ethyl-N,N-diisopropylamine; HATU / dichloromethane / 12 h / 20 °C
  • 5
  • [ 89639-36-1 ]
  • 5-[(5-chloro-2-methylpyridin-3-yl)amino]methyl}-N-{(S)-3-cyclopentyl-1-[(3-hydroxycyclobutyl)amino]-1-oxopropan-2-yl}thiophene-2-carboxamide [ No CAS ]
  • 5-[(5-chloro-2-methylpyridin-3-yl)amino]methyl}-N-{(S)-3-cyclopentyl-1-[(3-hydroxycyclobutyl)amino]-1-oxopropan-2-yl}thiophene-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: methanol / 2 h / 50 °C / Inert atmosphere 2.1: sodium cyanoborohydride / methanol / 14 h / 0 - 20 °C / Inert atmosphere 2.2: pH 4 3.1: N-ethyl-N,N-diisopropylamine; HATU / dichloromethane / 12 h / 20 °C 4.1: Resolution of isomers
  • 6
  • [ 89639-36-1 ]
  • [ 1404456-53-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: methanol / 2 h / 50 °C / Inert atmosphere 2.1: sodium cyanoborohydride / methanol / 14 h / 0 - 20 °C / Inert atmosphere 2.2: pH 4 3.1: N-ethyl-N,N-diisopropylamine; 4-methyl-morpholine; HATU / N,N-dimethyl-formamide / 0.5 h / 20 °C 3.2: 20 °C
  • 7
  • [ 89639-36-1 ]
  • 3-[(S)-2-(5-[(5-chloro-2-methylpyridin-3-yl)amino]methyl}thiophene-2-carboxamido)-3-cyclopentylpropanamido]cyclobutyl acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: methanol / 2 h / 50 °C / Inert atmosphere 2.1: sodium cyanoborohydride / methanol / 14 h / 0 - 20 °C / Inert atmosphere 2.2: pH 4 3.1: N-ethyl-N,N-diisopropylamine; HATU / dichloromethane / 12 h / 20 °C 4.1: Resolution of isomers 5.1: triethylamine / dmap / tetrahydrofuran / 0 - 20 °C 5.2: 6 h / 20 °C
  • 8
  • [ 89639-36-1 ]
  • (S)-3-[(S)-2-(5-[(5-chloro-2-methylpyridin-3-yl)amino]methyl}thiophene-2-carboxamido)-3-cyclopentylpropanamido]cyclobutyl 2,6-bis[(tert-butoxycarbonyl)amino]hexanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: methanol / 2 h / 50 °C / Inert atmosphere 2.1: sodium cyanoborohydride / methanol / 14 h / 0 - 20 °C / Inert atmosphere 2.2: pH 4 3.1: N-ethyl-N,N-diisopropylamine; HATU / dichloromethane / 12 h / 20 °C 4.1: Resolution of isomers 5.1: dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide / N,N-dimethyl-formamide / 4 h / 20 °C 5.2: 40 h / 20 °C
  • 9
  • [ 89639-36-1 ]
  • (S)-3-[(S)-2-(5-[(5-chloro-2-methylpyridin-3-yl)amino]methyl}thiophene-2-carboxamido)-3-cyclopentylpropanamido]cyclobutyl 2,6-diaminohexanoate trihydrochloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1.1: methanol / 2 h / 50 °C / Inert atmosphere 2.1: sodium cyanoborohydride / methanol / 14 h / 0 - 20 °C / Inert atmosphere 2.2: pH 4 3.1: N-ethyl-N,N-diisopropylamine; HATU / dichloromethane / 12 h / 20 °C 4.1: Resolution of isomers 5.1: dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide / N,N-dimethyl-formamide / 4 h / 20 °C 5.2: 40 h / 20 °C 6.1: hydrogenchloride / dichloromethane; 1,4-dioxane / 5 h / 20 °C
  • 10
  • [ 89639-36-1 ]
  • [ 1404456-63-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: methanol / 2 h / 50 °C / Inert atmosphere 2.1: sodium cyanoborohydride / methanol / 14 h / 0 - 20 °C / Inert atmosphere 2.2: pH 4
  • 11
  • [ 89639-36-1 ]
  • [ 1404456-13-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: methanol / 2 h / 50 °C / Inert atmosphere 2.1: sodium cyanoborohydride / methanol / 14 h / 0 - 20 °C / Inert atmosphere 2.2: pH 4 3.1: N-ethyl-N,N-diisopropylamine; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide / dichloromethane / 20 °C
  • 12
  • [ 89639-36-1 ]
  • [ 1404456-16-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: methanol / 2 h / 50 °C / Inert atmosphere 2.1: sodium cyanoborohydride / methanol / 14 h / 0 - 20 °C / Inert atmosphere 2.2: pH 4 3.1: 1-hydroxy-7-aza-benzotriazole; N-ethyl-N,N-diisopropylamine; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide / dichloromethane; N,N-dimethyl-formamide / 2 h / 20 °C
  • 13
  • [ 89639-36-1 ]
  • [ 1404456-23-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: methanol / 2 h / 50 °C / Inert atmosphere 2.1: sodium cyanoborohydride / methanol / 14 h / 0 - 20 °C / Inert atmosphere 2.2: pH 4 3.1: N-ethyl-N,N-diisopropylamine; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide / ethyl acetate; N,N-dimethyl-formamide / 20 °C
  • 14
  • [ 89639-36-1 ]
  • [ 1404456-26-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: methanol / 2 h / 50 °C / Inert atmosphere 2.1: sodium cyanoborohydride / methanol / 14 h / 0 - 20 °C / Inert atmosphere 2.2: pH 4 3.1: 1-hydroxy-7-aza-benzotriazole; 4-methyl-morpholine; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide / dichloromethane / 4 h / 20 °C
  • 15
  • [ 89639-36-1 ]
  • 2-methyl-3-hydroxy-5-chloropyridine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: 5-chloro-2-methylpyridin-3-amine With sulfuric acid; sodium nitrite In water at 0 - 100℃; for 1.83333h; Stage #2: With sodium hydroxide In water at 20℃; 19 To a solution of sulfuric acid (270mL) and water (900mL) was added 5-chloro-2- methylpyridine-3-amine (1 8g, 126mmol) at room temperature and cooled down to 0°C. A solution of NaN02 (9.58g, 139mmol, dissolved in 90mL of water) was then added drop wise over 20min. The reaction mixture was then stirred at 0°C for additional 30 min before being diluted with sulfuric acid (1 80mL) and water (720mL). The resulting mixture was then heated at 100°C for l h; then cooled down to room temperature and adjusted to pH=6 with NaOH solution. The resulting mixture was then extracted with EtOAc (2 x 500mL). The organic phases were combined, dried over Na2S04 and concentrated under reduced pressure to afford the desired product (1 7g) as a pale yellow solid, LC-MS (ES) m/z = 143.0, 145.0 [M+H]+
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