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Chemical Structure| 4524-93-0 Chemical Structure| 4524-93-0

Structure of 4524-93-0

Chemical Structure| 4524-93-0

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Product Details of [ 4524-93-0 ]

CAS No. :4524-93-0
Formula : C6H9ClO
M.W : 132.59
SMILES Code : O=C(Cl)C1CCCC1
MDL No. :MFCD00001370
InChI Key :WEPUZBYKXNKSDH-UHFFFAOYSA-N
Pubchem ID :78284

Safety of [ 4524-93-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H314
Precautionary Statements:P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P370+P378-P403+P235-P405-P501
Class:8(3)
UN#:2920
Packing Group:

Application In Synthesis of [ 4524-93-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 4524-93-0 ]

[ 4524-93-0 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 4524-93-0 ]
  • [ 40230-24-8 ]
  • cyclopentanecarboxylic acid-(4,6-diphenyl-pyrimidin-2-yl)-amide [ No CAS ]
  • 2
  • [ 4524-93-0 ]
  • [ 137215-27-1 ]
  • CH3OCCHCOC6H3SCOCHC4H8 [ No CAS ]
  • 3
  • [ 4524-93-0 ]
  • [ 51175-79-2 ]
  • [ 1057478-41-7 ]
  • 4
  • [ 4524-93-0 ]
  • [ 5234-86-6 ]
  • [ 1463497-68-8 ]
YieldReaction ConditionsOperation in experiment
32% In dichloromethane; at 0 - 20℃;Inert atmosphere; General procedure: To a stirred solution of compound 16 (500 mg, 2.7 mmol) in DCM (50 mL), cyclohexanecarbonyl chloride (532 L, 4.0 mmol) was added at 0 C. The mixture was stirred at room temperature overnight. The reaction was quenched with NaHCO3 (aq.), extracted with DCM (50 mL × 3). The organic phases were then processed in the usual way and chromatographed (1:1 petroleum ether/ EtOAc) to afforded compound 19 (350 mg, 43%) as white solid.
  • 5
  • [ 4524-93-0 ]
  • [ 161420-87-7 ]
  • (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(cyclopentanecarboxamido)butanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
33% With sodium hydroxide; In tetrahydrofuran; at 0 - 20℃; for 1h; (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(cyclopentanecarboxamido)butanoic acid Cyclopentanecarbonyl chloride (78 mg, 0.588 mmol) and NaOH (0.705 mL, 0.705 mmol) were dropped at the same time to a stirred solution of <strong>[161420-87-7](S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-aminobutanoic acid</strong> (200 mg, 0.588 mmol) in THF (1.5 mL) and of NaOH (1N, 0.7 mL) at 0 C. The reaction mixture was allowed to stir at rt for 1 h at which time LC-MS showed desired product peak. The reaction solution was acidified with 1N HCl and extracted with EtOAc (60 mL*1). The crude materials were purified via flash chromatography (ISCO, silica gel, 12 g column; flow rate 30 mL/min, 100% DCM to 20% MeOH/DCM). Fractions containing the desired product were combined and dried via centrifugal evaporation to provide the title compound (84.1 mg, 33%). Analysis LCMS Condition A: Retention time=0.98 min; ESI-MS(+) m/z 437.1 (M+H) 1H NMR (400 MHz, methanol-d4) delta 7.79 (d, J=7.5 Hz, 2H), 7.72-7.64 (m, 2H), 7.42-7.35 (m, 2H), 7.34-7.26 (m, 2H), 4.41-4.30 (m, 2H), 4.26-4.14 (m, 2H), 3.24-3.13 (m, 1H), 2.59 (t, J=7.8 Hz, 1H), 2.05 (s, 1H), 1.91-1.62 (m, 8H), 1.64-1.50 (m, 2H)
  • 6
  • [ 4524-93-0 ]
  • [ 446065-11-8 ]
  • [ 17773-63-6 ]
 

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