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[ CAS No. 52783-83-2 ]

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2D
Chemical Structure| 52783-83-2
Chemical Structure| 52783-83-2
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Product Details of [ 52783-83-2 ]

CAS No. :52783-83-2MDL No. :MFCD00452230
Formula : C10H9BrO4 Boiling Point : 336.4°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :273.08Pubchem ID :-
Synonyms :

Computed Properties of [ 52783-83-2 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

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Application In Synthesis of [ 52783-83-2 ]

  • Upstream synthesis route of [ 52783-83-2 ]
  • Downstream synthetic route of [ 52783-83-2 ]

[ 52783-83-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 52783-83-2 ]
  • [ 60632-40-8 ]
YieldReaction ConditionsOperation in experiment
95% at 90℃; for 4 h; HCL (25 mL, 6 mol/L) was added to compound 21 (1.0 g, 3.7 mmol), and stirred at 90 °C for 4 h. After cooling in air, the resultant solid was filtered, washed with water and dried to give compound 22 (0.80 g, 3.5 mmol, 95percent yield).Comment1H NMR (300 MHz, DMSO-d6) δ 10.01 (s, 1H), 7.34 (s, 1H), 7.11 (s, 1H), 3.83 (s, 3H).
50 g With hydrogenchloride In water at 90℃; for 10 h; A mixture of 140 (66 g, 243 mmoi) in 6 N 1-ICI aqueous solution (1.0 L) is stirred at 9() °C for 10 hours and then cooled to room temperature. The solid is collected by filtration, washed with water, and dried to give Ci as a white solid (50 g, 90percent yield). (MS:[MH-HJ 232.2)
Reference: [1] Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 22, p. 6892 - 6905
[2] Helvetica Chimica Acta, 1989, vol. 72, # 7, p. 1554 - 1582
[3] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1993, # 17, p. 1967 - 1972
[4] Journal of the American Chemical Society, 2014, vol. 136, # 6, p. 2583 - 2591
[5] Journal of Structural Chemistry, 2015, vol. 56, # 2, p. 346 - 351[6] Zh. Strukt. Kim., 2015, vol. 56, # 2, p. 361 - 366,6
[7] Patent: WO2017/176812, 2017, A1, . Location in patent: Paragraph 0401
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