[ CAS No. 1015609-75-2 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 1015609-75-2
Chemical Structure| 1015609-75-2
Structure of 1015609-75-2

Quality Control of [ 1015609-75-2 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 1015609-75-2 ]

SDS

Product Details of [ 1015609-75-2 ]

CAS No. :1015609-75-2MDL No. :MFCD09859119
Formula :C7H5IN2Boiling Point :360.7±22.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :244.03Pubchem ID :-
Synonyms :

Computed Properties of [ 1015609-75-2 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 1015609-75-2 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1015609-75-2 ]

  • Downstream synthetic route of [ 1015609-75-2 ]

[ 1015609-75-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1258430-82-8 ]
  • [ 1015609-75-2 ]
  • [ 1258430-32-8 ]
YieldReaction ConditionsOperation in experiment
66% With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In 1,1-dichloroethane; water; at 110.0℃; for 2.0h;Inert atmosphere; Microwave irradiation; Sealed vial; 59. Compound 59: l'-Cyclobutyl-5-(lH-pyrrolo[3,2-b]pyridin-6-yl)- 3H-spiro[benzofuran-2,4'-piperidine][00361] A microwave vial was charged with intermediate 1-7 (100 mg, 0.27 mmol, 1.0 eq), 6-iodo-lH-pyrrolo[3,2-b]pyridine (66 mg, 0.27 mmol, 1.0 eq), Pd(PPh3 )4 (31 mg, 0.027 mmol, 0.1 eq), dimethoxyethane (3 mL) and aqueous sodium carbonate (1 mL, 2.0 M in water). The vial was sealed, evacuated and purged three times with nitrogen. The reaction mixture was heated under microwave irradiation at 1100C for 2 hrs, and the solids were removed by filtration and washed with ethyl acetate. Water was added, and the crude reaction mixture was extracted with ethyl acetate. The combined organic layers were washed with water and brine, and dried with sodium sulfate. The solids were removed by filtration, the filtrate was concentrated and the residue was purified by preparative TLC to give compound 59 (64mg, 66%). 1H NMR (400 MHz, CD3OD) delta: 8.75 (s, IH), 8.69 (s, IH), 8.09 (s, IH), 7.51-7.63 (m, 2H), 6.82-6.96 (m, 2H), 3.71-3.82 (m, IH), 3.42-3.60 (m, 2H), 3.05-3.26 (m, 4H), 2.30-2.46 (m, 4H), 2.14- 2.30 (m, 4H), 1.77-1.96 (m, 2H). MS (ESI): m/z 360.2 (M+H+).
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