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Product Details of [ 4101-30-8 ]

CAS No. :4101-30-8 MDL No. :MFCD00016646
Formula : C10H13NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :KGKWXEGYKGTMAK-UHFFFAOYSA-N
M.W : 195.22 Pubchem ID :602085
Synonyms :

Safety of [ 4101-30-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
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Application In Synthesis of [ 4101-30-8 ]

* 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 [ 4101-30-8 ]
  • Downstream synthetic route of [ 4101-30-8 ]

[ 4101-30-8 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 4101-30-8 ]
  • [ 35654-56-9 ]
Reference: [1] Journal of Medicinal Chemistry, 2005, vol. 48, # 5, p. 1359 - 1366
[2] Patent: CN103739550, 2016, B,
  • 2
  • [ 4101-30-8 ]
  • [ 109-94-4 ]
  • [ 13425-93-9 ]
YieldReaction ConditionsOperation in experiment
55%
Stage #1: With sodium methylate In 1,2-dimethoxyethane at 20℃; for 16.5 h;
Stage #2: With sodium ethanolate In 1,2-dimethoxyethane at 20℃; for 24 h;
To a solution of 2-amino-4,5-dimethoxylacetophenone (4.5 g, 23 mmol) in DME (100 ml_) was added NaOMe (5.0 g, 92 mmol). The reaction was stirred for 30 min after which ethyl formate (8.5 g, 115 mmol) was added and the reaction mixture was stirred for 16 h at rt. Then NaOEt (21percent dispersion in oil, 22 g, 69.1 mmol) was <n="48"/>added and the reaction mixture was stirred for an additional 24 h at it Water (1OmL) was then added, and the mixture was stirred for 1 h, then concentrated under reduced pressure. The pH of the resulting aqueous mixture was adjusted to pH 7 using HCI (2N aqueous solution). The resulting precipitated was collected by filtration, and then successively washed with water, ethyl acetate and ethyl ether. The solid was dried under mechanical vacuum give 2.6 g (yield 55 percent) of the title compound.1H NMR (400 MHz, DMSO-cfe) δ 10.97 (bs, 1 H), 7.79 (d, 1 H), 7.42 (s, 1 H), 6.96 (s, 1 H), 5.96 (d, 1 H), 3.84 (s, 3 H), 3.81 (s, 3 H); ES-MS m/z 206.2 [M+H]+, LCMS RT (min) 1.21.
Reference: [1] Patent: WO2008/48375, 2008, A1, . Location in patent: Page/Page column 46-47
  • 3
  • [ 4101-30-8 ]
  • [ 190728-25-7 ]
Reference: [1] Journal of Medicinal Chemistry, 2005, vol. 48, # 5, p. 1359 - 1366
[2] Patent: CN103739550, 2016, B,
  • 4
  • [ 4101-30-8 ]
  • [ 228559-87-3 ]
Reference: [1] Journal of Medicinal Chemistry, 2005, vol. 48, # 5, p. 1359 - 1366
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