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Chemical Structure| 420-37-1 Chemical Structure| 420-37-1

Structure of 420-37-1

Chemical Structure| 420-37-1

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Product Details of [ 420-37-1 ]

CAS No. :420-37-1
Formula : C3H9BF4O
M.W : 147.91
SMILES Code : C[O+](C)C.F[B-](F)(F)F
MDL No. :MFCD00011798
InChI Key :CZVZBKHWOFJNCR-UHFFFAOYSA-N
Pubchem ID :2735153

Safety of [ 420-37-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 420-37-1 ]

* 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.

  • Upstream synthesis route of [ 420-37-1 ]
  • Downstream synthetic route of [ 420-37-1 ]

[ 420-37-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 55919-82-9 ]
  • [ 420-37-1 ]
  • [ 1150617-94-9 ]
YieldReaction ConditionsOperation in experiment
68%
Stage #1: at 20℃; for 2 h;
Stage #2: With sodium hydroxide In water; ethyl acetateCooling with ice
Preparation 6
5-iodo-2-methyl-2H-indazole
To a solution of 5-iodo-1H-indazole (500 g, 2.05 mol) in EtOAc (4 L) is added trimethyloxonium tetrafluoroborate (450 g, 3.04 mol).
After the resulting white suspension is stirred at room temperature for 2 h, it is concentrated under vacuum.
Ice water (1 L) is added to the residue, and it is basified to pH 12 with 10percent aqueous NaOH solution.
The solids are collected by filtration, and redissolved in DCM (5 L).
The insolubles are filtered off and the filtrate is washed with 10percent aqueous NaOH solution (2*100 mL).
The organic layer is dried over anhydrous Na2SO4, filtered through a short silica gel column, and concentrated.
Methyl tert-butyl ether is added to the residue to give a slurry and the product is collected by filtration to give the title compound (360 g, 68.0percent). MS (m/z): 259.0 (M+H).
References: [1] Patent: US2012/28984, 2012, A1, . Location in patent: Page/Page column 3.
 

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