[ CAS No. 25957-65-7 ]

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2D
Chemical Structure| 25957-65-7
Chemical Structure| 25957-65-7
Structure of 25957-65-7

Quality Control of [ 25957-65-7 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 25957-65-7 ]

SDS

Product Details of [ 25957-65-7 ]

CAS No. :25957-65-7MDL No. :MFCD08272238
Formula :C8H6N2OBoiling Point :383.2°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :146.15Pubchem ID :26337988
Synonyms :

Computed Properties of [ 25957-65-7 ]

TPSA : 45.8 H-Bond Acceptor Count : 2
XLogP3 : 0.4 H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 1

Safety of [ 25957-65-7 ]

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

Application In Synthesis of [ 25957-65-7 ]

  • Upstream synthesis route of [ 25957-65-7 ]
  • Downstream synthetic route of [ 25957-65-7 ]

[ 25957-65-7 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 271-29-4 ]
  • [ 4885-02-3 ]
  • [ 25957-65-7 ]
YieldReaction ConditionsOperation in experiment
0.295 g With aluminum (III) chloride In nitromethane; 1,2-dichloro-ethane at 0℃; for 1.00 h; Inert atmosphere To a solution of 1 /-/-pyrrolo[2,3-c]pyridine (0.400 g; 3.386 mmol) in a mixture of 1 ,2- dichloroethane (10 mL) and nitromethane (10 mL) cooled at 0 °C under an argon atmosphere were added dichloro(methoxy)methane (1.544 mL; 16.92 mmol) and aluminum trichloride (1.500 g; 1 1.25 mmol) over 1 h. After the addition, the reaction was quenched by addition of water and of a saturated sodium bicarbonate solution. The reaction mixture was extracted with a solution of dichloromethane and ethanol (9/1 , 6x100 mL). The combined organic layers were washed with brine, dried over magnesium sulfate, filtered and concentrated under reduced pressure to yield 0.295 g (60percent) of 1 H-pyrrolo[2,3-c]pyridine-3-carbaldehyde which was used without further purification. ESI/APCI(+): 147 (M+H). ESI/APCI(-): 145 (M-H). 1H NMR (DMSO- ofe) δ 10.01 (1 H, s); 8.88 (1 H, s); 8.50 (1 H, s); 8.33 (1 H, d); 8.00 (1 H, d).
Reference: [1] Patent: WO2013/45516, 2013, A1. Location in patent: Page/Page column 200
  • 2
  • [ 271-29-4 ]
  • [ 100-97-0 ]
  • [ 25957-65-7 ]
Reference: [1] Journal of Medicinal Chemistry, 2012, vol. 55, # 11, p. 5151 - 5164
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