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[ CAS No. 17061-61-9 ] {[proInfo.proName]}

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Chemical Structure| 17061-61-9
Chemical Structure| 17061-61-9
Structure of 17061-61-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 17061-61-9 ]

CAS No. :17061-61-9 MDL No. :
Formula : C8H12ClNO Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 173.64 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 17061-61-9 ]

* 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 [ 17061-61-9 ]
  • Downstream synthetic route of [ 17061-61-9 ]

[ 17061-61-9 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 96-26-4 ]
  • [ 17061-61-9 ]
  • [ 38993-84-9 ]
  • [ 226931-15-3 ]
Reference: [1] Patent: US6268363, 2001, B1,
  • 2
  • [ 590-28-3 ]
  • [ 17061-61-9 ]
  • [ 54582-35-3 ]
Reference: [1] Farmaco, Edizione Scientifica, 1980, vol. 35, # 12, p. 1034 - 1038
[2] Journal of Organic Chemistry, 1986, vol. 51, # 22, p. 4180 - 4185
  • 3
  • [ 17061-61-9 ]
  • [ 57-13-6 ]
  • [ 54582-35-3 ]
Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1974, vol. 316, p. 1013 - 1029
  • 4
  • [ 17061-61-9 ]
  • [ 41965-95-1 ]
YieldReaction ConditionsOperation in experiment
26.5 g With hydrogenchloride; dihydrogen peroxide In water at 63℃; for 11 h; A four-neck 200 mL flask provided with a thermometer, Dimroth condenser and stirrer was charged with 35 g of the wet crystals of the MBA-HCl-containing composition having a purity of 99.7percent obtained in Example 1 (mass in terms of dried product: 30.8 g (0.177 mol)), 153.3 g of water was added thereto, and they were stirred. Then, 46.1 g of 33.7percent hydrochloric acid (theoretical molar ratio to MBA-HCl: 2.4) was dropped into the four-neck flask under the ordinary temperature for 30 minutes. After the dropping, the inner temperature was increased to 63° C. and 25.6 g of 33.6percent hydrogen peroxide water (theoretical molar ratio to MBA-HCl: 1.43) was dropped into the four-neck flask for 30 minutes while maintaining the temperature. The reaction was carried out at 63° C. for 10 hours and the heating was finished when the remaining amount of MBA-based substances was confirmed to be 0.5percent or less by the HPLC analysis. The reaction liquid was gradually cooled (about 5-15° C./hour) to carry out crystallization. Precipitation of crystals was confirmed at 48° C. and the state of a liquid temperature of 48° C. was therefore held for 1 hour. The cooling was continued at a cooling rate of 5-15° C./hour to 5° C. and the state of a liquid temperature of 5° C. was held for 1 hour. The reaction liquid after being held was filtrated to obtain a wet cake, which was washed with 48.7 g of isopropyl alcohol cooled to 5° C., and 31.4 g of wet crystals of a first CMBA-HCl-containing composition were obtained. The obtained wet crystals were dried using a vacuum drier and a dried product of 26.5 g of white crystals was obtained as the first CMBA-HCl-containing composition. The yield was 71.1 mol percent and the HPLC purity was 99.1percent. In the CMBA-HCl-containing composition, 0.08percent of MBA-based substances remained and 0.84percent of dichloro products were generated as by-products.
Reference: [1] Journal of Medicinal Chemistry, 2001, vol. 44, # 7, p. 1025 - 1027
[2] Patent: US2017/44091, 2017, A1, . Location in patent: Paragraph 0054
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