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[ CAS No. 887266-90-2 ]

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type HazMat fee
Excepted Quantity Free
Inaccessible (Haz class 6.1), Domestic USD 41.00
Inaccessible (Haz class 6.1), International USD 64.00
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 83.00
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Chemical Structure| 887266-90-2
Chemical Structure| 887266-90-2
Structure of 887266-90-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 887266-90-2 ]

CAS No. :887266-90-2 MDL No. :MFCD07368699
Formula : C7H3BrClFO Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :237.45 g/mol Pubchem ID :-
Synonyms :

Safety of [ 887266-90-2 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P271-P280-P260-P271-P280 UN#:3265
Hazard Statements:H314-H302+H312+H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 887266-90-2 ]

  • Upstream synthesis route of [ 887266-90-2 ]
  • Downstream synthetic route of [ 887266-90-2 ]

[ 887266-90-2 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 887266-90-2 ]
  • [ 179898-34-1 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 11, p. 3243 - 3247
  • 2
  • [ 67-56-1 ]
  • [ 887266-90-2 ]
  • [ 334792-52-8 ]
YieldReaction ConditionsOperation in experiment
1.8 g at 0 - 20℃; for 2.08333 h; A mixture of 3-bromo-5-fluorobenzoic acid (2.8 g, 13.0 mmol) and thionyl chloride (10 mL) was heated to 70 °C for 2 h, after cooling to room temperature excess thionyl chloride was evaporated. To the residue at 0 °C was methanol (50 mL) and triethylamine (4.5 mL) added, the reaction was stirred at 0°C for 5 minutes and then at room temperature for 2 h. The mixture was concentrated, diluted with ethyl acetate (100 mL) and washed consecutively with: 1) hydrochloric acid (5percent, 50 mL), 2) saturated sodium bicarbonate (50 mL), the organic phase was dried over magnesium sulfate and evaporated. Purification by flash chromatography using heptane:ethyl acetate 9:1 as the eluent gave the title compound (1.8 g, 60percent). H NMR (400 MHz, CDCl3) d ppm 3.89 (s, 3 H), 7.38 (dtd, 1 H), 7.58 - 7.63 (m, 1 H), 7.90 - 7.93 (m, 1 H); 13C NMR (101 MHz, CDCl3) d 52.9, 115.6, 115.8, 122.8, 122.9, 123.5, 123.7, 128.8, 128.8, 133.6, 133.6, 161.2, 163.7, 164.8, 164.8.
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 22, p. 6974 - 6979,6
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