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[ CAS No. 4996-21-8 ]

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2D
Chemical Structure| 4996-21-8
Chemical Structure| 4996-21-8
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Product Details of [ 4996-21-8 ]

CAS No. :4996-21-8MDL No. :MFCD08272327
Formula : C8H7ClO3 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :186.59Pubchem ID :15556731
Synonyms :

Computed Properties of [ 4996-21-8 ]

TPSA : 35.1 H-Bond Acceptor Count : 3
XLogP3 : - H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 2

Safety of [ 4996-21-8 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P280-P305+P351+P338-P310UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 4996-21-8 ]

  • Upstream synthesis route of [ 4996-21-8 ]
  • Downstream synthetic route of [ 4996-21-8 ]

[ 4996-21-8 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 536-38-9 ]
  • [ 4996-21-8 ]
YieldReaction ConditionsOperation in experiment
70% With water; hydrogen bromide In dimethyl sulfoxide at 80℃; for 5 h; A solution of 4'-chloro-2-bromoacetophenone (25. 0 g, 107 MMOL), water (1. 92 mL, 107 mmol) and 47percent HYDROBROMIC ACID (0. 20 ML) IN DIMETHYLSULFOXIDE (160 mL) was stirred at 80°C for 5 h. After the reaction mixture was poured into water, the precipitate was filtered, washed with diethylether and dried, affording 4 -CHLORO-2, 2-DIHYDROXYACETOPHENONE (14. 0 G, percent). 1H NMR (300MHZ, CDCL3), No. 5. 92 (1H, S), 7. 45-7. 52 (2H, M), 8. 05-8. 20 (2H, M).
Reference: [1] Patent: WO2004/85408, 2004, A1, . Location in patent: Page 276
  • 2
  • [ 99-91-2 ]
  • [ 4996-21-8 ]
Reference: [1] ACS Combinatorial Science, 2013, vol. 15, # 5, p. 261 - 266
[2] Tetrahedron Asymmetry, 2010, vol. 21, # 18, p. 2244 - 2248
[3] Journal of Medicinal Chemistry, 2017, vol. 60, # 7, p. 3124 - 3153
[4] Chemistry of Heterocyclic Compounds, 2018, vol. 54, # 1, p. 51 - 57[5] Khim. Geterotsikl. Soedin., 2018, vol. 54, # 1, p. 51 - 57,7
[6] Tetrahedron Letters, 2011, vol. 52, # 31, p. 4036 - 4038
[7] Synlett, 2013, vol. 24, # 8, p. 977 - 980
[8] Journal of Sulfur Chemistry, 2013, vol. 34, # 5, p. 464 - 473
[9] Journal of the American Chemical Society, 2013, vol. 135, # 45, p. 16849 - 16852
[10] Journal of the Chinese Chemical Society, 2013, vol. 60, # 11, p. 1323 - 1327
[11] Journal of the Iranian Chemical Society, 2014, vol. 11, # 4, p. 963 - 968
[12] Turkish Journal of Chemistry, 2015, vol. 39, # 2, p. 244 - 254
[13] RSC Advances, 2015, vol. 5, # 65, p. 52852 - 52865
[14] RSC Advances, 2015, vol. 5, # 64, p. 51501 - 51507
[15] Journal of Sulfur Chemistry, 2014, vol. 35, # 6, p. 700 - 710
[16] Australian Journal of Chemistry, 2015, vol. 68, # 10, p. 1529 - 1534
[17] Tetrahedron Letters, 2016, vol. 57, # 1, p. 103 - 104
[18] Chemical Communications, 2017, vol. 53, # 22, p. 3232 - 3235
[19] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 8, p. 1660 - 1664
[20] Chemical Communications, 2017, vol. 53, # 69, p. 9640 - 9643
[21] Journal of Molecular Structure, 2018, vol. 1152, p. 44 - 52
[22] Tetrahedron, 2017, vol. 73, # 47, p. 6587 - 6596
[23] Journal of Heterocyclic Chemistry, 2017, vol. 54, # 6, p. 3163 - 3168
[24] Research on Chemical Intermediates, 2017, vol. 43, # 7, p. 3925 - 3937
[25] Australian Journal of Chemistry, 2017, vol. 70, # 6, p. 660 - 668
[26] Journal of Heterocyclic Chemistry, 2018, vol. 55, # 1, p. 149 - 153
[27] Heterocyclic Communications, 2018, vol. 24, # 1, p. 37 - 41
[28] Journal of Heterocyclic Chemistry, 2018, vol. 55, # 4, p. 951 - 956
[29] Tetrahedron Letters, 2018, vol. 59, # 31, p. 2970 - 2974
[30] Organic and Biomolecular Chemistry, 2018, vol. 16, # 38, p. 6998 - 7003
  • 3
  • [ 4998-15-6 ]
  • [ 4996-21-8 ]
Reference: [1] Tetrahedron Letters, 2011, vol. 52, # 31, p. 4036 - 4038
[2] Turkish Journal of Chemistry, 2015, vol. 39, # 2, p. 244 - 254
[3] Research on Chemical Intermediates, 2017, vol. 43, # 7, p. 3925 - 3937
[4] Australian Journal of Chemistry, 2015, vol. 68, # 10, p. 1529 - 1534
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