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Chemical Structure| 1257236-65-9 Chemical Structure| 1257236-65-9

Structure of 1257236-65-9

Chemical Structure| 1257236-65-9

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Product Details of [ 1257236-65-9 ]

CAS No. :1257236-65-9
Formula : C8H14ClNO3
M.W : 207.65
SMILES Code : O=C(O)C1(CC1)N1CCOCC1.[H]Cl
MDL No. :MFCD29907353
InChI Key :DEMHGYMSPZQYLC-UHFFFAOYSA-N
Pubchem ID :68758425

Safety of [ 1257236-65-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 1257236-65-9 ]

* 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 [ 1257236-65-9 ]

[ 1257236-65-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1257236-65-9 ]
  • [ 369-26-6 ]
  • methyl 4-fluoro-3-([1-(morpholin-4-yl)cyclopropyl]carbonyl}amino)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
4.55 g 4.67 g (22.5 mmol) of l-(morpholin-4-yl)cyclopropanecarboxylic acid hydrochloride (1:1) (intermediate 8) were stirred in 90 mL of dichloromethane at room temperature. 0.17 mL (2.25 mmol) of DMF and 3.9 mL (45.0 mmol) of oxalyl chloride were added, and the mixture was stirred for additional 2 h at 50 °C after the gas formation had stopped. After concentration, 4.80 g of raw material were obtained, which were added to a solution of 3.00 g (17.7 mmol) of methyl 3-amino-4- fluorobenzoate and 12.4 mL (88.7 mmol) of triethylamine in a mixture of 42 mL of dichloromethane and 42 mL of THF. The resulting mixture was stirred at room temperature over night, was washed with water and IN aqueous hydrogen chloride solution, was dried over sodium sulfate and concentrated under reduced pressure. The remaining solids were then triturated with ethanol, and the remaining solids were removed by filtration and were dried at 50 °C under reduced pressure to give the title compound (4.55 g, 80percent of theory). 1H-NMR (400 MHz, DMSO-d6): delta [ppm] = 1.10 - 1.15 (m, 2H), 1.20 - 1.26 (m, 2H), 2.43 - 2.48 (m, 4H), 3.65 - 3.72 (m, 4H), 3.85 (s, 3H), 7.46 (dd, 1H), 7.75 (ddd, 1H), 8.77 (dd, 1H), 10.35 (s, 1H). LC-MS (Method 4): Rt = 1.13 min; MS (ESIpos): m/z = 323 [M+H]+.
 

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