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[ CAS No. 116-02-9 ]

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Chemical Structure| 116-02-9
Chemical Structure| 116-02-9
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Product Details of [ 116-02-9 ]

CAS No. :116-02-9 MDL No. :MFCD00019378
Formula : C9H18O Boiling Point : 187.7°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :142.24 g/mol Pubchem ID :8298
Synonyms :

Safety of [ 116-02-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 116-02-9 ]

  • Upstream synthesis route of [ 116-02-9 ]
  • Downstream synthetic route of [ 116-02-9 ]

[ 116-02-9 ] Synthesis Path-Upstream   1~18

  • 1
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  • [ 873-94-9 ]
YieldReaction ConditionsOperation in experiment
90%
Stage #1: With ammonium tungstate In water at 20℃; for 0.25 h; Green chemistry
Stage #2: With dihydrogen peroxide In water at 70℃; for 11 h; Green chemistry
General procedure: Firstly, GO (0.01 g) was added into water (3 mL) and the mixturecould generate the stable colloidal suspensions under a mild ultrasonictreatment. Afterwards, the alcohol (2 mmol) and (NH4)5H5[H2(WO4)6](0.03 mmol, M=1602) were added. The mixture was stirred for 15 min atroom temperature. Subsequently, hydrogen peroxide (30 wtpercent, 8 mmol)was added dropwise and the mixture was heated to 70°C until thereaction was fully completed (monitored by TLC). After the reactioncompleted, GO could be readily separated from the mixtures bycentrifugation, and then ethyl acetate was added to the mixture to extract organic constituents. Finally, the organic extracts were concentratedunder reduced pressure and purified by column chromatography.
Reference: [1] Synlett, 2018, vol. 29, # 4, p. 447 - 451
[2] Bulletin of the Chemical Society of Japan, 1986, vol. 59, p. 3297 - 3298
[3] Journal of the American Chemical Society, 1945, vol. 67, p. 1432,1434
[4] Journal of the American Chemical Society, 1945, vol. 67, p. 1432,1434
  • 2
  • [ 78-59-1 ]
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  • [ 873-94-9 ]
Reference: [1] Tetrahedron Letters, 1986, vol. 27, # 45, p. 5487 - 5490
[2] Synthetic Communications, 1988, vol. 18, # 1, p. 89 - 96
[3] European Journal of Inorganic Chemistry, 2012, # 21, p. 3435 - 3440
[4] Chemistry - A European Journal, 2015, vol. 21, # 48, p. 17495 - 17502
  • 3
  • [ 78-59-1 ]
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  • [ 3073-66-3 ]
Reference: [1] Organic Process Research and Development, 1998, vol. 2, # 3, p. 137 - 146
  • 4
  • [ 78-59-1 ]
  • [ 470-99-5 ]
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  • [ 873-94-9 ]
Reference: [1] Journal of Organic Chemistry, 1984, vol. 49, # 10, p. 1717 - 1724
[2] Tetrahedron, 1980, vol. 36, p. 1937 - 1942
[3] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1986, p. 1327 - 1330
[4] Journal of Organic Chemistry, 1984, vol. 49, # 13, p. 2438 - 2443
[5] Tetrahedron, 1980, vol. 36, p. 1937 - 1942
[6] European Journal of Organic Chemistry, 2000, # 9, p. 1793 - 1797
  • 5
  • [ 14845-42-2 ]
  • [ 116-02-9 ]
  • [ 873-94-9 ]
Reference: [1] Tetrahedron Letters, 1993, vol. 34, # 50, p. 8107 - 8110
[2] Tetrahedron, 1995, vol. 51, # 43, p. 11751 - 11764
[3] Tetrahedron, 1995, vol. 51, # 43, p. 11751 - 11764
  • 6
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Reference: [1] Tetrahedron, 2008, vol. 64, # 8, p. 1847 - 1852
[2] Justus Liebigs Annalen der Chemie, 1896, vol. 290, p. 148
[3] Justus Liebigs Annalen der Chemie, 1897, vol. 297, p. 194
[4] Justus Liebigs Annalen der Chemie, 1896, vol. 290, p. 148
[5] Justus Liebigs Annalen der Chemie, 1897, vol. 297, p. 194
[6] Chemistry - A European Journal, 2015, vol. 21, # 48, p. 17495 - 17502
[7] Green Chemistry, 2017, vol. 19, # 5, p. 1230 - 1234
  • 7
  • [ 78-59-1 ]
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  • [ 873-94-9 ]
Reference: [1] Tetrahedron Letters, 1986, vol. 27, # 45, p. 5487 - 5490
[2] Synthetic Communications, 1988, vol. 18, # 1, p. 89 - 96
[3] European Journal of Inorganic Chemistry, 2012, # 21, p. 3435 - 3440
[4] Chemistry - A European Journal, 2015, vol. 21, # 48, p. 17495 - 17502
  • 8
  • [ 873-94-9 ]
  • [ 116-02-9 ]
Reference: [1] Journal of Organometallic Chemistry, 1980, vol. 195, # 1, p. 1 - 12
[2] RSC Advances, 2016, vol. 6, # 101, p. 99444 - 99454
[3] Tetrahedron Letters, 2006, vol. 47, # 1, p. 9 - 12
[4] European Journal of Organic Chemistry, 2000, # 9, p. 1793 - 1797
[5] Journal of Organometallic Chemistry, 1982, vol. 232, # 2, p. C29 - C32
[6] Journal of the American Chemical Society, 1987, vol. 109, # 3, p. 908 - 910
[7] Chemische Berichte, 1912, vol. 45, p. 3593
[8] Tetrahedron Letters, 1981, vol. 22, p. 675 - 678
[9] Liebigs Annalen, 1995, # 4, p. 677 - 684
[10] Tetrahedron, 1995, vol. 51, # 43, p. 11751 - 11764
[11] Journal of Organic Chemistry, 1996, vol. 61, # 3, p. 826 - 830
[12] Journal of Organic Chemistry, 1997, vol. 62, # 9, p. 3019 - 3020
[13] Tetrahedron Letters, 2002, vol. 43, # 21, p. 3943 - 3945
  • 9
  • [ 78-59-1 ]
  • [ 116-02-9 ]
  • [ 33496-82-1 ]
Reference: [1] Synlett, 2009, # 19, p. 3143 - 3146
  • 10
  • [ 78-59-1 ]
  • [ 470-99-5 ]
  • [ 116-02-9 ]
  • [ 33496-82-1 ]
Reference: [1] Synlett, 2009, # 19, p. 3143 - 3146
[2] Synlett, 2009, # 19, p. 3143 - 3146
  • 11
  • [ 78-59-1 ]
  • [ 470-99-5 ]
  • [ 116-02-9 ]
Reference: [1] Synthetic Communications, 1988, vol. 18, # 1, p. 89 - 96
[2] Synthetic Communications, 1988, vol. 18, # 1, p. 89 - 96
[3] Journal of Organic Chemistry, 1985, vol. 50, # 11, p. 1927 - 1932
  • 12
  • [ 78-59-1 ]
  • [ 116-02-9 ]
  • [ 873-94-9 ]
  • [ 3073-66-3 ]
Reference: [1] Organic Process Research and Development, 1998, vol. 2, # 3, p. 137 - 146
  • 13
  • [ 78-59-1 ]
  • [ 470-99-5 ]
  • [ 116-02-9 ]
  • [ 873-94-9 ]
Reference: [1] Journal of Organic Chemistry, 1984, vol. 49, # 10, p. 1717 - 1724
[2] Tetrahedron, 1980, vol. 36, p. 1937 - 1942
[3] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1986, p. 1327 - 1330
[4] Journal of Organic Chemistry, 1984, vol. 49, # 13, p. 2438 - 2443
[5] Tetrahedron, 1980, vol. 36, p. 1937 - 1942
[6] European Journal of Organic Chemistry, 2000, # 9, p. 1793 - 1797
  • 14
  • [ 14845-42-2 ]
  • [ 116-02-9 ]
  • [ 873-94-9 ]
Reference: [1] Tetrahedron Letters, 1993, vol. 34, # 50, p. 8107 - 8110
[2] Tetrahedron, 1995, vol. 51, # 43, p. 11751 - 11764
[3] Tetrahedron, 1995, vol. 51, # 43, p. 11751 - 11764
  • 15
  • [ 78-59-1 ]
  • [ 116-02-9 ]
  • [ 56041-01-1 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1896, vol. 290, p. 148
  • 16
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  • [ 855355-14-5 ]
Reference: [1] Patent: DE136873, , ,
  • 17
  • [ 873-94-9 ]
  • [ 67-63-0 ]
  • [ 116-02-9 ]
Reference: [1] Tetrahedron, 1983, vol. 39, # 17, p. 2807 - 2814
[2] Tetrahedron, 1983, vol. 39, # 17, p. 2807 - 2814
  • 18
  • [ 116-02-9 ]
  • [ 119-36-8 ]
  • [ 118-56-9 ]
YieldReaction ConditionsOperation in experiment
81.1% at 180℃; for 13 h; 250 ml three-necked flask, 10.0 g of methyl salicylate, 23.3 g of 3,3,5-trimethylcyclohexanol, 0.50 g of potassium carbonate,Ammonium bromide 0.1g, heated to 180 reaction 13h, gas chromatography detection reaction system methyl salicylate conversion was 97.2percent.To vacuum distillation unit, the former fraction recovery to be applied,ColorlessMing of the Hu Moluo13.98 g,Yield 81.1percent, GCPurity greater than 99percent.
Reference: [1] Patent: CN105541634, 2016, A, . Location in patent: Paragraph 0023; 0024
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