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Chemical Structure| 1301613-77-3 Chemical Structure| 1301613-77-3

Structure of 1301613-77-3

Chemical Structure| 1301613-77-3

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Product Details of [ 1301613-77-3 ]

CAS No. :1301613-77-3
Formula : C5H3Br2N3O
M.W : 280.90
SMILES Code : O=C(C1=NC(Br)=CN=C1Br)N
MDL No. :MFCD22418639
InChI Key :TWCACYWIPUIXAR-UHFFFAOYSA-N
Pubchem ID :58269823

Safety of [ 1301613-77-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 1301613-77-3 ]

* 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 [ 1301613-77-3 ]

[ 1301613-77-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1301613-77-3 ]
  • [ 957230-70-5 ]
YieldReaction ConditionsOperation in experiment
With bromine; potassium hydroxide; In water; at -5 - 15℃; for 1.08333h; Step 4: Synthesis of Intermediate 1aTo a stirred solution of potassium hydroxide (130 g, 2.314 M) in water (1.3 L) at -5 C. is added bromine (23.7 mL, 463 mM) over 0.5-1 h. Intermediate D' (100 g, 356 mM) is added to the reaction mixture and stirred for 15 min at -5 C. The temperature of the reaction mixture is raised to 15 C. over 20 min and stirred at this temperature for an additional 30 min. The resulting solid is separated by filtration, washed with water (50 mL×3) and dried at 50-55 C. under vacuum to afford crude Intermediate 1a.Intermediate 1a (51 g) is heated in a 10% aq. solution of potassium hydroxide (510 mL) at 70 C. for 2 hrs, then cooled to 30 C., and the solid is filtered. The cake is washed with water (25 mL×2) and dried to afford clean Intermediate 1a.
 

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