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Chemical Structure| 1257792-67-8 Chemical Structure| 1257792-67-8

Structure of 1257792-67-8

Chemical Structure| 1257792-67-8

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Product Details of [ 1257792-67-8 ]

CAS No. :1257792-67-8
Formula : C13H18BNO5
M.W : 279.10
SMILES Code : CC1(C)C(C)(C)OB(C2=CC=CC([N+]([O-])=O)=C2OC)O1
MDL No. :MFCD18383414
InChI Key :JKHCSEPRRUKNJR-UHFFFAOYSA-N
Pubchem ID :57483800

Safety of [ 1257792-67-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 1257792-67-8 ]

* 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 [ 1257792-67-8 ]

[ 1257792-67-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1194374-25-8 ]
  • [ 1257792-67-8 ]
  • 2-(2-methoxy-3-nitro-phenyl)-5-methyl-thiazole-4-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
26% Step 1 2-(2-Methoxy-3-nitro-phenyl)-5-methyl-thiazole-4-carboxylic acid; 2-(2-Methoxy-3-nitro-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 6a (1.7 g, 6.08 mmol), <strong>[1194374-25-8]2-bromo-5-methyl-thiazole-4-carboxylic acid</strong> (900 mg, 4.05 mmol), tetrakis (triphenylphosphine)palladium (233 mg, 0.2 mmol) and sodium carbonate (1.29 g, 12.16 mmol) were dissolved in 30 mL of 1,4-dioxane. The reaction mixture was heated to reflux for 4 hours. The reaction was monitored by TLC until the disappearance of the starting materials. The mixture was filtered and the filtrate was concentrated under reduced pressure. The residue was diluted with 20 mL of hydrochloric acid (1 N) and 30 mL of ethyl acetate. The separated organic layer was washed with saturated brine, dried over anhydrous sodium sulfate, filtered to remove the drying agent and concentrated under reduced pressure. The residue was recrystallized from a solvent mixture of ethyl acetate and hexane to obtain the title compound 2-(2-methoxy-3-nitro-phenyl)-5-methyl-thiazole-4-carboxylic acid 47a (310 mg, yield 26%) as a yellow solid. MS m/z (ESI): 292.6 [M-1] 1H NMR (400 MHz, DMSO-d6): delta 13.45 (br, 1H), 8.58 (dd, J = 8.0, 1H), 8.14 (dd, J = 8.0,1H), 7.52 (t, J = 8.0, 1H), 3.93 (s, 3H), 2.71 (s, 3H)
 

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