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Chemical Structure| 120003-75-0 Chemical Structure| 120003-75-0

Structure of 120003-75-0

Chemical Structure| 120003-75-0

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Product Details of [ 120003-75-0 ]

CAS No. :120003-75-0
Formula : C8H8ClNO2
M.W : 185.61
SMILES Code : O=C(O)C1=C(Cl)N=C(C)C(C)=C1
MDL No. :MFCD07801116
InChI Key :JGTHNXDWSRAIAT-UHFFFAOYSA-N
Pubchem ID :6484125

Safety of [ 120003-75-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Application In Synthesis of [ 120003-75-0 ]

* 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 [ 120003-75-0 ]

[ 120003-75-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 35216-39-8 ]
  • [ 120003-75-0 ]
  • 2-(4-fluoro-2-methoxyphenoxy)-5,6-dimethyl-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide [ No CAS ]
  • 2
  • [ 35216-39-8 ]
  • [ 120003-75-0 ]
  • 2-chloro-5,6-dimethyl-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
75.1% With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In chloroform; at 20℃; for 144h; To a mixture of 2-chloro-5,6-dimethyl-pyridine-3-carboxylic acid (100 mg, 0.539 mmol), 3-methylsulfonylaniline (96.9 mg, 0.566 mmol) and HBTU (225 mg, 0.593 mmol) in chloroform (4 mL) was added DIPEA (206.5 pL, 1.19 mmol). The resulting mixture was stirred at room temperature for 6 days (for convenience). The solvent was removed under a stream of N2, and the residue treated with water/MeOH (4: 1). This mixture was briefly sonicated then stirred at room temperature for 18 h. The resulting precipitate was collected by filtration, washed with water and dried under vacuum to give 2-chloro-5,6-dimethyl-N-(3-methylsulfonylphenyl)pyridine-3- carboxamide (137 mg, 0.404 mmol, 75.1% yield) as a beige solid. MS, ES+m/z 339.0 [M+H]+. -NMR (400 MHz, DMSO-rie) d 10.96 (s, 1 H), 8.37 (s, 1 H), 7.94 (d, J=7.33 Hz, 1 H), 7.88 (s, 1 H), 7.64 - 7.72 (m, 2 H), 3.23 (s, 3 H), 2.48 (s, 3 H), 2.31 (s, 3 H).
 

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