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Type HazMat fee for 500 gram (Estimated)
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Chemical Structure| 125369-57-5 Chemical Structure| 125369-57-5

Structure of 125369-57-5

Chemical Structure| 125369-57-5

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Product Details of [ 125369-57-5 ]

CAS No. :125369-57-5
Formula : C8H7F2NO2
M.W : 187.14
SMILES Code : O=C(N)C1=C(F)C=C(OC)C=C1F
MDL No. :MFCD03094497

Safety of [ 125369-57-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H331
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 125369-57-5 ]

* 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 [ 125369-57-5 ]

[ 125369-57-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 125369-57-5 ]
  • [ 123843-66-3 ]
YieldReaction ConditionsOperation in experiment
91% With thionyl chloride; In N,N-dimethyl-formamide; at 0 - 20℃; To a solution of 2, 6-difluoro-4-methoxybenzamide (55 g, 294.1 mmol) in DMF (300 mL) was added a mixture of SOCl 2 (350 g) in DMF at 0. The resulting mixture was stirred at room temperature overnight. The reaction mixture was poured into ice-water (1 L) and extracted with EtOAc (1 L x3) . The combined organic layer was dried over anhydrous Na 2SO 4 and filtered. The filtrate was concentrated. The residue was purified by silica gel chromatography (PE/EtOAc = 5/1) to give the product (45 g, 91%yield) as a white solid. MS (ESI) m/z: 170.1 (M+H) +.
  • 2
  • [ 123843-65-2 ]
  • [ 125369-57-5 ]
YieldReaction ConditionsOperation in experiment
72% To a solution of 2, 6-difluoro-4-methoxybenzoic acid (45.0 g, 240 mmol) in CH 2Cl 2 (120mL) was added DMF (0.1 mL) and oxalyl chloride (50 mL, 840 mmol) dropwise. The reaction mixture was stirred for 30 min and then concentrated to give a residue. The residue was dissolved in DCM (120 mL) and then was added into a mixture of NH 4OH/THF (200mL/200mL) slowly. After addition the resulting mixture was stirred at room temperature for 2 h. The reaction mixture was concentrated, re-dissolved in water and extracted with DCM (300 mLx3) . The combined organic phases were washed with brine, dried over anhydrous Na 2SO 4 and filtered. The filtrate was concentrated. The residue was triturated in PE/EA (20: 1, 500 mL) and filtered to give the product (32 g, 72%yield) as a yellow solid. MS (ESI) m/z: 188.2 (M+H) +.
 

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