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[ CAS No. 38926-77-1 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 38926-77-1
Chemical Structure| 38926-77-1
Structure of 38926-77-1 *Storage: {[proInfo.prStorage]}

Quality Control of [ 38926-77-1 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 38926-77-1 ]

SDS

Product Details of [ 38926-77-1 ]

CAS No. :38926-77-1MDL No. :MFCD09044328
Formula :C8H10ClNOBoiling Point :-
Linear Structure Formula :-InChI Key :YABHGYPDBKOQOO-UHFFFAOYSA-N
M.W :171.62Pubchem ID :16772020
Synonyms :

Computed Properties of [ 38926-77-1 ]

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

Safety of [ 38926-77-1 ]

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 [ 38926-77-1 ]

  • Downstream synthetic route of [ 38926-77-1 ]

[ 38926-77-1 ] Synthesis Path-Downstream   1~7

YieldReaction ConditionsOperation in experiment
79% With sodium tetrahydroborate; In methanol; water; at 0 - 20℃; for 18.5h; General procedure: A mixture of 4-chloro-2-hydroxybenzaldehyde (0.4 12 g, 2.63 mmol) and methanamine(40% in water, 4.6 mL, 52.72 mmol) in methanol (30 mL) was stirred at roomtemperature for 30 minutes. Sodium borohydride (0.199 g, 5.26 mmol) was added portionwise at 0 C and the reaction mixture was stirred at room temperature for 18 hours. The solvent was removed and the resulting crude was partitioned between dichloromethane and saturated aqueous solution of sodium hydrogencarbonate. Theorganic layer was separated, washed with water and brine, dried over magnesium sulfate and the solvent was evaporated to dryness. The residue was purified by flash chromatography (dichloromethane to dichloromethane/methanol/ammonia 80:20:2)yield the title compound (0.322 g, 71%).LRMS (m/z): 172 (M+1).
  • 2
  • [ 38926-77-1 ]
  • (S)-tert-butyl 5-(5-((1-(5-fluoropyridin-2-yl)ethyl)amino)-3-(2-methoxypyridin-3-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazolo[4,3-b]pyridin-7-yl)-2-hydroxybenzyl(methyl)carbamate [ No CAS ]
  • 3
  • [ 38926-77-1 ]
  • tert-butyl [2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]methylcarbamate [ No CAS ]
  • 4
  • [ 635-93-8 ]
  • [ 74-89-5 ]
  • [ 38926-77-1 ]
YieldReaction ConditionsOperation in experiment
88% 5-Chloro-2-hydroxybenzaldehyde (1.00 g, 6.39 mmol) was dissolved in methanol (69 mL). Under anhydrous atmosphere, methanamine (40% in water, 11 mL, 126.00 mmol) was added and the reaction was stirred at room temperature for 2 hours. Then the reaction mixture was cooled to 0C and sodium borohydride (0.48 g, 12.70 mmol) was added and stirred at room temperature overnight. The crude was evaporated under reduced pressure and purified directly by flash chromatography (dichloromethane to dichloromethane/methanol/ammonia (80:20:2)) to yield the title compound (1.04 g, 88%) as a white solid.LRMS (mz): 172, 174 (M÷1, M÷3).
  • 5
  • [ 24424-99-5 ]
  • [ 38926-77-1 ]
  • tert-butyl (5-chloro-2-hydroxybenzyl)methylcarbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
100% In tetrahydrofuran; at 20℃; for 5.0h; 4-Chloro-2-((methylamino)methyl)phenol (Preparation 12a, 300 mg, 1.75 mmol) was dissolved in tetrahydrofuran (5.3 mL). Di-tert-butyl dicarbonate (457 mg, 2.09 mmol) was added and the mixture was stirred at room temperature for 5 hours. The crude was concentrated under reduced pressure and diluted with ethyl acetate. The organic layer was washed with water (x2) and brine, dried over anhydrous sodium sulphate and evaporated under reduced pressure to yield the title compound (551 mg, 100%).LRMS (mz): 272, 274 (M÷1, M÷3).1H-NMR oe (300 MHz, CDCI3): 1.47 (s, 9 H), 2.89 (s, 3 H), 4.25 (s, 2 H), 6.87 (d, I H),7.06 (d, I H), 7.17 (dd, I H), 9.43 (br. s., I H).
99% In tetrahydrofuran; at 20℃; for 5.0h; A mixture of <strong>[38926-77-1]4-chloro-2-[(methylamino)methyl]phenol</strong> (Preparation 116a, 0.30 g, 1.75 mmol) and di-tert-butyl dicarbonate (0.458 g, 2.10 mmol) in tetrahydrofuran (5 mL)wasstirred at room temperature for 5 hours. The reaction mixture was partitioned between water and ethyl acetate. The organic phase was separated, washed with additional water and brine, dried over sodium sulfate and the solvent was evaporated to dryness to yield the title compound (0.569 g, 99%) as a white solid.LRMS (mlz): 272 (M+1).
  • 6
  • [ 106-48-9 ]
  • [ 38926-77-1 ]
  • 7
  • [ 99359-74-7 ]
  • [ 38926-77-1 ]
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