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Chemical Structure| 1336963-98-4 Chemical Structure| 1336963-98-4

Structure of 1336963-98-4

Chemical Structure| 1336963-98-4

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Product Details of [ 1336963-98-4 ]

CAS No. :1336963-98-4
Formula : C6H6BrClFN
M.W : 226.47
SMILES Code : NC1=CC=CC(Br)=C1F.[H]Cl
MDL No. :MFCD22570443
Boiling Point : No data available
InChI Key :NFFOPUUJQIKVTF-UHFFFAOYSA-N
Pubchem ID :53429185

Safety of [ 1336963-98-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302+H312+H332-H315-H319
Precautionary Statements:P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312

Application In Synthesis of [ 1336963-98-4 ]

* 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 [ 1336963-98-4 ]

[ 1336963-98-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 161957-56-8 ]
  • [ 1336963-98-4 ]
YieldReaction ConditionsOperation in experiment
45% DPPA (75.4 g, 274 mmol) and Et3N (38.2 mL, 274 mmol) were added to a solution of <strong>[161957-56-8]3-bromo-2-fluorobenzoic acid</strong> (50 g, 228 mmol) in toluene (2 L). After heating at reflux for 2 h, f-BuOH was added and the mixture was heated at reflux for 2 additional hours. The solvent was removed and the residue was stirred in 5N HCI/1 ,4-dioxane (500 mL) for 18 h at room temperature. The mixture was filtered and the filter cake was washed with diethyl ether and dried to afford 3-bromo-2-fluoroaniline hydrochloride (27 g, 45% yield) as a white solid.
 

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