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[ CAS No. 191162-40-0 ]

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2D
Chemical Structure| 191162-40-0
Chemical Structure| 191162-40-0
Structure of 191162-40-0 *Storage: {[proInfo.prStorage]}

Quality Control of [ 191162-40-0 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 191162-40-0 ]

SDS

Product Details of [ 191162-40-0 ]

CAS No. :191162-40-0MDL No. :MFCD01114668
Formula :C9H10BNO2Boiling Point :402.572°C at 760 mmHg
Linear Structure Formula :-InChI Key :CBPBJUTWVXLSER-UHFFFAOYSA-N
M.W :174.99Pubchem ID :22733820
Synonyms :

Computed Properties of [ 191162-40-0 ]

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

Safety of [ 191162-40-0 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 191162-40-0 ]

  • Downstream synthetic route of [ 191162-40-0 ]

[ 191162-40-0 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 161417-12-5 ]
  • [ 191162-40-0 ]
  • 5-(1-methyl-2-indolyl)-3-(1-methyl-2-(S)-pyrrolidinylmethoxy)pyridine [ No CAS ]
  • 2
  • N-(quinolin-8-yl)but‐3‐enamide [ No CAS ]
  • [ 191162-40-0 ]
  • C22H21N3O [ No CAS ]
  • 3
  • 5'-iodo-1'-methylspiro[cyclopropane-1,3'-indolin]-2'-one [ No CAS ]
  • [ 191162-40-0 ]
  • 1'-methyl-5'-(1-methyl-1H-indol-2-yl)spiro[cyclopropane-1,3'-indolin]-2'-one [ No CAS ]
  • 4
  • [ 64-18-6 ]
  • (3-((3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-bromo-5-methylpyrazin-2-yl)methanol [ No CAS ]
  • [ 191162-40-0 ]
  • {3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methyl-1H-indol-2-yl)pyrazin-2-yl}methanol formate [ No CAS ]
YieldReaction ConditionsOperation in experiment
24% A vial was charged with (3-((3,S',4)S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan- 8-yl)-6-bromo-5-methylpyrazin-2-yl)methanol (96 mg, 0.259 mmol, 1 equiv), (1-methyl-lH- indol-2-yl)boronic acid (68 mg, 0.388 mmol, 1.5 equiv), tetrakis(triphenylphosphine)palladium (60 mg, 0.0519 mmol, 0.2 equiv), potassium carbonate (107 mg, 0.776 mmol, 3 equiv), and a stir bar. Degassed ethanol (1.72 mL) was added, the vial capped, and the headspace evacuated and filled with nitrogen three times. The vial was placed in an 80 C oil bath overnight. The reaction mixture was filtered through a pad of Celite and the filtrate concentrated. The crude product was purified by preparative HPLC to afford (3-((3,S',4)S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5]decan-8-yl)-5-methyl-6-(l-methyl-lH-indol-2-yl)pyrazin-2-yl)methanol (26 mg, 24%) as its formate salt. 1H MR (500 MHz, MeOH-i) delta 8.57 (s, 1H), 7.60 (m, 1H), 7.45 (m, 1H), 7.25 (m 1H), 7.11 (m 1H), 6.62 (S, 1H) 4.73 (s, 2H), 4.38 - 4.18 (m, 1H), 3.94 (d, J = 8.8 Hz, 1H), 3.82 (d, J= 8.8 Hz, 1H), 3.74 (s, 3H), 3.71 - 3.64 (m, 2H), 3.26 - 2.96 (m, 3H), 2.52 (s, 3H), 2.08 - 1.91 (m, 2H), 1.85 (d, J = 13.4 Hz, 1H), 1.76 (d, J = 12.4 Hz, 1H), 1.30 (d, J Hz, 3H). LC-MS (ESI): m/z: [M + H] calculated for C24H31N5O2: 422.3; found: 422.5.
  • 5
  • C7H9ClN4O [ No CAS ]
  • [ 191162-40-0 ]
  • 5-(1-methyl-1H-indol-2-yl)-3-morpholino-1,2,4-triazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
50 mg With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,4-dioxane; water; at 150℃; for 0.25h;Microwave irradiation; To a mixed solution of the compound 1 (60 mg), the compound 2 (63 mg), and dichlorobis(triphenylphosphine) palladium (10 mg) in dioxane (2 mL) was added an aqueous solution of 2 mol/L sodium carbonate (1.0 mL). The reaction mixture was stirred for 15 minutes at 150 C in a microwave reactor (Initiator, Biotage). The reaction mixture was cooled to room temperature, diluted with ethyl acetate, and then the solution was washed with water and brine, and dried. The solvent was evaporated under reduced pressure, then the resulting crystalline residue was suspended and washed in a mixed solvent of hexane-ethyl acetate (2:1), taken by filtration, and dried to give 5-(1-methyl-1H-indol-2-yl)-3-morpholino-1,2,4-triazine (50 mg) as a yellow solid. MS (APCI) 296 [M+H]+
  • 6
  • (Z)-N’-((2-bromoallyl)oxy)-6-methoxy-5-(4-methyl-1H-imidazol-1-yl)picolinimidamide [ No CAS ]
  • [ 191162-40-0 ]
  • (Z)-6-methoxy-5-(4-methyl-1H-imidazol-1-yl)-N’-((2-(1-methyl-1H-indol-2-yl)allyl)oxy)picolinimidamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,2-dimethoxyethane; water; at 20 - 100℃; for 1h;Inert atmosphere; Under argon, a microwave vial was charged with (Z)-iV-((2- bromoallyl)oxy)-6-methoxy-5-(4-methyl- 1H-imidazol- 1 -yl)picolinimidamide (600 mg, 1.6 mmol), 1-Methyl-1H-indol-2-yl-2-boronic acid (315 mg, 1.8 mmol), sodium carbonate (521 mg, 4.9 mmol) and Pd(PPh3)4 (95 mg, 0.08 mmol). Next, degassed 1,2-dimethoxyethane (14 mL) and water (4 mL) were added and the resultant mixture was heated in an oil-bath at 100C for 1 hour. The mixture was diluted with water and extracted twice with EtOAc. The combined organic layers were washed with water, brine, dried with sodium sulfate, concentrated in vacuo and the residue was purified by silica column chromatography [5% methanol in EtOAcj to afford (Z)-6-methoxy-5-(4-methyl- 1 H-imidazol- 1 -yl)-N-((2-( 1- methyl-1H-indol-2-yl)allyl)oxy)picolinimidamide (491 mg, 85%) as a colorless oil. ?H NMR (CDC13, 400 MHz) 7.82 (d, I = 1.3 Hz, 1H), 7.68 (d, I = 8.0 Hz, 1H), 7.65 - 7.60 (m, 1H), 7.57 (d, I = 8.0 Hz, 1H), 7.37 - 7.32 (m, 1H), 7.28 - 7.22 (m, 1H), 7.16 -7.11 (m, 1H), 7.02- 6.97 (m, 1H), 6.59 (d, I = 0.7 Hz, 1H), 5.73 (d, I = 1.3 Hz, 1H), 5.55 -5.31 (m, 3H), 4.98(s, 2H), 4.07 (s, 3H), 3.81 (s, 3H), 2.32 (d, I = 0.9 Hz, 3H); LCMS: 97.7%; 417.2 (M+1); RT 2.24 mm. (method A); TLC: 5% MeOH/ EtOAc (R1 0.35).
  • 7
  • [ 1202551-96-9 ]
  • [ 191162-40-0 ]
  • [ 1202551-97-0 ]
  • 8
  • [ 191162-40-0 ]
  • ethanesulfonic acid [5-(3-cyano-1-methyl-1H-indol-2-yl)pyridin-3-yl]amide [ No CAS ]
  • 9
  • [ 191162-40-0 ]
  • C19H20N4O4S2 [ No CAS ]
  • 10
  • [ 191162-40-0 ]
  • ethanesulfonic acid [5-(1-methyl-1H-indol-2-yl)pyridin-3-yl]-N-ethanesulfonyl amide [ No CAS ]
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