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[ CAS No. 1427460-96-5 ]

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2D
Chemical Structure| 1427460-96-5
Chemical Structure| 1427460-96-5
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Product Details of [ 1427460-96-5 ]

CAS No. :1427460-96-5MDL No. :MFCD22421936
Formula : C9H7BrN2O2 Boiling Point : 395.9±22.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :255.07Pubchem ID :75365448
Synonyms :

Computed Properties of [ 1427460-96-5 ]

TPSA : 55 H-Bond Acceptor Count : 3
XLogP3 : - H-Bond Donor Count : 1
SP3 : 0.11 Rotatable Bond Count : 2

Safety of [ 1427460-96-5 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1427460-96-5 ]

  • Upstream synthesis route of [ 1427460-96-5 ]
  • Downstream synthetic route of [ 1427460-96-5 ]

[ 1427460-96-5 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 900019-52-5 ]
  • [ 1427460-96-5 ]
YieldReaction ConditionsOperation in experiment
25% With acetic acid; sodium nitrite In water at 20℃; for 5.00 h; To a mixture of compound 2 (2.2 g, 9.1 mmol) in HOAc (40 ml) was added a solution of NaNO2 (6.27 g, 9.1 mmol) in H2O (9 ml) dropwise. The mixture was stirred at ambient temperature for five h. and then concentrated in vacuo. The resulting solid was triturated with ethyl acetate (40 ml) and filtered. The filtrate was concentrated to afford compound 3 (575 mg, 25percent)
Reference: [1] Patent: US2014/128391, 2014, A1. Location in patent: Paragraph 0599; 0602; 0603
  • 2
  • [ 18595-14-7 ]
  • [ 1427460-96-5 ]
Reference: [1] Patent: US2014/128391, 2014, A1
  • 3
  • [ 900019-52-5 ]
  • [ 1427460-96-5 ]
YieldReaction ConditionsOperation in experiment
25% With acetic acid; sodium nitrite In water at 20℃; for 5.00 h; To a mixture of compound 2 (2.2 g, 9.1 mmol) in HOAc (40 ml) was added a solution of NaNO2 (6.27 g, 9.1 mmol) in H2O (9 ml) dropwise. The mixture was stirred at ambient temperature for five h. and then concentrated in vacuo. The resulting solid was triturated with ethyl acetate (40 ml) and filtered. The filtrate was concentrated to afford compound 3 (575 mg, 25percent)
Reference: [1] Patent: US2014/128391, 2014, A1. Location in patent: Paragraph 0599; 0602; 0603
  • 4
  • [ 18595-14-7 ]
  • [ 1427460-96-5 ]
Reference: [1] Patent: US2014/128391, 2014, A1
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