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[ CAS No. 808137-94-2 ]

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2D
Chemical Structure| 808137-94-2
Chemical Structure| 808137-94-2
Structure of 808137-94-2 *Storage: {[proInfo.prStorage]}

Quality Control of [ 808137-94-2 ]

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Related Doc. of [ 808137-94-2 ]

SDS

Product Details of [ 808137-94-2 ]

CAS No. :808137-94-2MDL No. :MFCD09864656
Formula :C9H8N2O2Boiling Point :-
Linear Structure Formula :-InChI Key :-
M.W :176.17Pubchem ID :21110084
Synonyms :

Computed Properties of [ 808137-94-2 ]

TPSA : 55 H-Bond Acceptor Count : 3
XLogP3 : 1.2 H-Bond Donor Count : 1
SP3 : 0.11 Rotatable Bond Count : 2

Safety of [ 808137-94-2 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 808137-94-2 ]

  • Upstream synthesis route of [ 808137-94-2 ]

[ 808137-94-2 ] Synthesis Path-Upstream   1~9

  • 1
  • [ 4414-89-5 ]
  • [ 808137-94-2 ]
YieldReaction ConditionsOperation in experiment
87.6% With hydrogenchloride In methanol; water at 80℃; for 10.00 h; (3) In the reaction flask was added 100 mL of methanol and 100 mL of hydrochloric acid (10 mol / L)28.6 g of 3-cyano-7-azaindole (0.2 mol) was dissolved therein,The reaction at 80 for 10 h.The reaction was complete to remove methanol,Add 100 mL of water,Neutralized with saturated sodium bicarbonate solution to pH = 8,There is a lot of solid generated,The suspension was left to stand at 0 ° C for 3 h,Suction filtration,The solid was washed with distilled water,dry,Recrystallization from ethyl acetate / petroleum ether gave 30.8 g of methyl 7-azaindole-3-carboxylate,Yield 87.6percent.
Reference: [1] Patent: CN106588921, 2017, A. Location in patent: Paragraph 0018; 0019; 0024; 0026; 0028; 0030
  • 2
  • [ 67-56-1 ]
  • [ 156270-06-3 ]
  • [ 808137-94-2 ]
YieldReaction ConditionsOperation in experiment
87%
Stage #1: at 36℃; for 0.25 h;
Stage #2: at 50℃; for 0.75 h;
This example relates to a process for the synthesis of methyl 1-pyrrolo [2,3-b] pyridine-3-carboxylate, 1 mol of lH-pyrrolo [2,3-b] pyridine-3-carboxylic acid and 4 mol of methanol were charged into a 1 L three-necked flask, The molar ratio of 1 H-pyrrolo [2,3-B] pyridine-3-carboxylic acid to methanol was 1: 4, heated at 36 ° C for 15 minutes, Then, a mixture consisting of 0. 7 mol of anhydrous calcium chloride and 0.5 mol of nano-sized aluminum oxide was added as a catalyst, Pyrrolo [2,3-B] pyridine-3-carboxylic acid, anhydrous calcium chloride, The molar ratio of nano-Al2O3 was 1: 0.7: 0.5, and the mixture was refluxed at 50 ° C for 45 minutes to carry out esterification reaction, Cooled to room temperature, filtered, The filtrate was evaporated at 60 ° C under reduced pressure to remove the excess methanol to give methyl 1H-pyrrolo [2,3-b] pyridine-3-carboxylate as a white solid in 87percent yield and HPLC purity 98.7percent.
Reference: [1] Patent: CN105218546, 2016, A. Location in patent: Paragraph 0017; 0018
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Reference: [1] Patent: WO2004/111048, 2004, A1. Location in patent: Page 40
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  • [ 163220-69-7 ]
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YieldReaction ConditionsOperation in experiment
85% at 20℃; for 2.00 h; Example 24 (50) Example 24 Step A: LH-PYRROLO [2, 3-B] PYRIDINE-3-CARBOXYLIC acid methyl ester [0228] 2,2, 2-TRICHLORO-L- (LH-PYRROLO [2, 3-B] PYRIDIN-3-YL)-ETHAN one was prepared using the procedures described in Method G. To a solution of this trichloro ketone (350 mg, 1.33 mmol) in MeOH (10 mL) was added triethylamine (2 mL) at RT. The resulting solution was stirred at RT for 2 h. The solvent was evaporated under vacuum, the residue was washed with water, and the crude product was dried on the pump for direct use. (200 mg, 1.13 mmol, 85percent). MS (ES+): m/e= 177.1 (M+H); LC: 2.2 min.
Reference: [1] Patent: WO2005/28475, 2005, A2. Location in patent: Page/Page column 131-132
[2] Patent: WO2008/5457, 2008, A2. Location in patent: Page/Page column 93
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  • [ 245064-81-7 ]
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Reference: [1] Synlett, 2010, # 10, p. 1481 - 1484
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  • [ 156270-06-3 ]
  • [ 18107-18-1 ]
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Reference: [1] Patent: WO2008/5457, 2008, A2. Location in patent: Page/Page column 78
  • 7
  • [ 271-63-6 ]
  • [ 808137-94-2 ]
Reference: [1] Patent: WO2008/5457, 2008, A2
[2] Patent: WO2008/5457, 2008, A2
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  • [ 13534-99-1 ]
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Reference: [1] Patent: CN106588921, 2017, A
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  • [ 808137-94-2 ]
Reference: [1] Patent: WO2008/5457, 2008, A2
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