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Chemical Structure| 1461-96-7
Chemical Structure| 1461-96-7
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CAS No. :1461-96-7 MDL No. :MFCD01311172
Formula : C7H10O4 Boiling Point : -
Linear Structure Formula :- InChI Key :ASJCSAKCMTWGAH-SYDPRGILSA-N
M.W : 158.15 Pubchem ID :727374
Synonyms :

Safety of [ 1461-96-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1461-96-7 ]

* 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 [ 1461-96-7 ]
  • Downstream synthetic route of [ 1461-96-7 ]

[ 1461-96-7 ] Synthesis Path-Upstream   1~18

  • 1
  • [ 1461-96-7 ]
  • [ 5763-49-5 ]
Reference: [1] Journal of the Chemical Society, 1894, vol. 65, p. 588
[2] Journal of the Chemical Society, 1894, vol. 65, p. 576,588
[3] Patent: WO2007/137107, 2007, A2, . Location in patent: Page/Page column 54
  • 2
  • [ 1655-07-8 ]
  • [ 1461-96-7 ]
YieldReaction ConditionsOperation in experiment
63%
Stage #1: With bromine In chloroform at 0 - 20℃;
Stage #2: With potassium hydroxide In water at 0℃; for 6 h;
Stage #3: With hydrogenchloride In water
Br2 (112.8 g, 705.6 mmol) was added dropwise at 0 °C to a solution of ethyl 2- oxocyclohexanecarboxylate (120 g, 705.6 mmol) in chloroform (360 ml). The resulting reaction mixture was stirred at rt overnight, then washed with NaHC03 (2x200 ml) and brine (2x100 ml). The organic layer was dried over Na2S04 and concentrated and the residue was added dropwise to an ice-cold solution of KOH (168 g, 3 mol) in water (960 ml). The reaction mixture was stirred for 6 h at 0 °C, then extracted with diethyl ether. The aqueous phase was acidified with 4.0 M HCI (pH 5) and extracted with diethyl ether. The combined organic layers were washed with brine (200 ml), dried, filtered and concentrated. The afforded yellow oil was crystallized (EtOAc/diethyl ether) which gave the title compound as a colourless crystals (70 g, 63percent). MS (ESI): 159 [M+H]+.
Reference: [1] Tetrahedron Letters, 2007, vol. 48, # 4, p. 635 - 638
[2] Patent: WO2013/95275, 2013, A1, . Location in patent: Page/Page column 35
[3] Journal of the American Chemical Society, 2000, vol. 122, # 50, p. 12610 - 12611
[4] Journal of Organic Chemistry, 1989, vol. 54, # 4, p. 817 - 824
[5] Journal of Organic Chemistry, 1961, vol. 26, p. 22 - 27
[6] Journal of Medicinal Chemistry, 2008, vol. 51, # 3, p. 380 - 383
[7] Patent: WO2007/137107, 2007, A2, . Location in patent: Page/Page column 54
  • 3
  • [ 3128-15-2 ]
  • [ 1461-96-7 ]
Reference: [1] Patent: US4206137, 1980, A,
  • 4
  • [ 30132-23-1 ]
  • [ 1461-96-7 ]
Reference: [1] Chemistry - A European Journal, 2010, vol. 16, # 23, p. 6919 - 6932
[2] Journal of the American Chemical Society, 2000, vol. 122, # 50, p. 12610 - 12611
[3] Journal of Organic Chemistry, 1961, vol. 26, p. 22 - 27
  • 5
  • [ 118577-36-9 ]
  • [ 1461-96-7 ]
Reference: [1] Journal of Organic Chemistry, 1989, vol. 54, # 4, p. 817 - 824
  • 6
  • [ 80656-14-0 ]
  • [ 1461-96-7 ]
Reference: [1] Journal of the Chemical Society, 1894, vol. 65, p. 588
[2] Journal of Organic Chemistry, 1961, vol. 26, p. 22 - 27
[3] Helvetica Chimica Acta, 1983, vol. 66, # 8, p. 2501 - 2511
  • 7
  • [ 19042-30-9 ]
  • [ 1461-96-7 ]
Reference: [1] Chemische Berichte, 1968, vol. 101, p. 1643 - 1647
  • 8
  • [ 79692-84-5 ]
  • [ 1461-96-7 ]
Reference: [1] Tetrahedron, 1980, vol. 36, # 3, p. 393 - 396
  • 9
  • [ 35878-28-5 ]
  • [ 1461-96-7 ]
Reference: [1] Helvetica Chimica Acta, 1983, vol. 66, # 8, p. 2501 - 2511
  • 10
  • [ 124-38-9 ]
  • [ 201230-82-2 ]
  • [ 1461-96-7 ]
Reference: [1] Synthesis, 1991, # 5, p. 395 - 398
  • 11
  • [ 3128-15-2 ]
  • [ 1461-96-7 ]
Reference: [1] Journal of the Chemical Society, 1959, p. 1761,1765
  • 12
  • [ 50708-47-9 ]
  • [ 1461-96-7 ]
Reference: [1] Journal of the Chemical Society, 1894, vol. 65, p. 588
  • 13
  • [ 91972-94-0 ]
  • [ 1461-96-7 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1961, vol. 644, p. 172 - 188
  • 14
  • [ 95259-54-4 ]
  • [ 1461-96-7 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1961, vol. 644, p. 172 - 188
  • 15
  • [ 62732-15-4 ]
  • [ 1461-96-7 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1961, vol. 644, p. 172 - 188
  • 16
  • [ 104282-33-9 ]
  • [ 1461-96-7 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1961, vol. 644, p. 172 - 188
  • 17
  • [ 13756-54-2 ]
  • [ 7697-37-2 ]
  • [ 110-94-1 ]
  • [ 1461-96-7 ]
Reference: [1] Journal of the American Chemical Society, 1941, vol. 63, p. 870
[2] Journal of the American Chemical Society, 1951, vol. 73, p. 2098
  • 18
  • [ 7647-01-0 ]
  • [ 143102-48-1 ]
  • [ 1461-96-7 ]
  • [ 80656-14-0 ]
Reference: [1] Journal of the American Chemical Society, 1938, vol. 60, p. 1237
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