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[ CAS No. 1040682-92-5 ]

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2D
Chemical Structure| 1040682-92-5
Chemical Structure| 1040682-92-5
Structure of 1040682-92-5 *Storage: {[proInfo.prStorage]}

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Product Details of [ 1040682-92-5 ]

CAS No. :1040682-92-5MDL No. :MFCD09965907
Formula : C9H8N2O2 Boiling Point : 383.1°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :176.17Pubchem ID :26076445
Synonyms :

Computed Properties of [ 1040682-92-5 ]

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

Safety of [ 1040682-92-5 ]

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

Application In Synthesis of [ 1040682-92-5 ]

  • Downstream synthetic route of [ 1040682-92-5 ]

[ 1040682-92-5 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 1040682-92-5 ]
  • [ 1292287-36-5 ]
YieldReaction ConditionsOperation in experiment
25% With N-chloro-succinimide; In N,N-dimethyl-formamide; at 20℃; for 18h; EXAMPLE 11 Synthesis of 3,6-dichloro-4-methoxycarbonyl-1 H-pyrrolo[3,2- c]pyridine (Compound 22-132)1 1.1 Preparation of 3-chloro-4-methoxycarbonyl-1 H-pyrrolo[3,2-c]pyridineA solution of 4-methoxycarbonyl-1 H-pyrrolo[3,2-c]pyridine (0.25 g, 1.4 mmol) and N- chlorosuccinimide (0.23 g, 1.7 mmol) in dimethylformamide (5 ml) was stirred at ambient temperature for 18 hours, then poured into water. The resulting mixture was extracted with diethyl ether and the combined organic phases evaporated under reduced pressure to provide a yellow solid. This was purified using a FractionLynx hplc, to provide 3- chloro-4-methoxycarbonyl-l H-pyrrolo[3,2-c]pyridine as a solid (74 mg, 25%).Characterising data for the compound are as follows:1H NMR (400 MHz, CD3OD) delta 8.22 (1 H, d), 7.57 (1 H, d), 7.56 (1 H, s), 4.60 (1 H, br s), 4.02 (3H, s) ppm
  • 2
  • [ 1040682-92-5 ]
  • [ 1292287-37-6 ]
  • 3
  • [ 1040682-92-5 ]
  • [ 1292287-35-4 ]
  • 4
  • [ 1040682-92-5 ]
  • [ 98-59-9 ]
  • methyl 1-tosyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
89% A solution of <strong>[1040682-92-5]methyl 1H-pyrrolo[3,2-c]pyridine-4-carboxylate</strong> (501.7 mg, 2.85 mmol; commercially available from, for example, Matrix Scientific) in DMF (10 mL) was cooled to approx. 0 C in an ice bath under nitrogen. To this stirring mixture was added sodium hydride (6O% dispersion in mineral oil, 179.1 mg, 4.48 mmol) portionwise to afford a bright yellow solution. This was stirred at 0 C forapprox. 10 mm, after which 4-toluenesulfonyl chloride (700.1 mg, 3.67 mmol) was added. The mixture was allowed to warm to rt while stirring and was stirred for a further 2.25 h. To the reaction mixture was added water (10 mL) and it was stirred for a further 5 mm. To this mixture was added sat. aqueous lithium chloride (25 mL) and water (25 mL). The resulting cloudy yellow solution was extracted with ethyl acetate (3 x 50 mL). The organic phases were combined and filtered through acartridge fitted with a hydrophobic frit. The filtrate was evaporated in vacuo to give a light yellow solid; methyl 1-tosyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylate (837.9 mg, 2.54 mmol, 89 % yield).LCMS (2 mm high pH) Rt = 1.07 mi m/z= 331 for [MH]1H NMR (400 MHz, CDCI3) O ppm 8.62 (d, J=5.4 Hz, 1 H) 8.09 (dd, J=5.6, 0.7 Hz, 1 H) 7.79 (d, J=8.3 Hz, 2 H) 7.73 (d, J=3.7 Hz, 1 H) 7.42 (d, J=3.2 Hz, 1 H) 7.24 - 7.31 (m, 2 H) 4.04 (5, 3 H)2.37 (5, 3 H)
  • 5
  • [ 1040682-92-5 ]
  • (1-tosyl-1H-pyrrolo[3,2-c]pyridin-4-yl)methanol [ No CAS ]
  • 6
  • [ 1040682-92-5 ]
  • N3-methyl-N5-((1S,2S)-2-methylcyclopropyl)-2-oxo-1-((1-tosyl-1H-pyrrolo[3,2-c]pyridin-4-yl)methyl)-1,2-dihydropyridine-3,5-dicarboxamide [ No CAS ]
  • 7
  • [ 1040682-92-5 ]
  • 1-((1H-pyrrolo[3,2-c]pyridin-4-yl)methyl)-N3-methyl-N5-((1S,2S)-2-methylcyclopropyl)-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide [ No CAS ]
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