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[ CAS No. 41153-30-4 ]

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Chemical Structure| 41153-30-4
Chemical Structure| 41153-30-4
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Product Details of [ 41153-30-4 ]

CAS No. :41153-30-4 MDL No. :MFCD00079672
Formula : C14H18FNO4 Boiling Point : 431.2°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :283.30 g/mol Pubchem ID :7020910
Synonyms :

Safety of [ 41153-30-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 41153-30-4 ]

  • Upstream synthesis route of [ 41153-30-4 ]
  • Downstream synthetic route of [ 41153-30-4 ]

[ 41153-30-4 ] Synthesis Path-Upstream   1~3

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YieldReaction ConditionsOperation in experiment
72.5% With sodium hydroxide In 1,4-dioxane; water at 20℃; for 6 h; Cooling with ice A solution of L-4F-Phe-COOH 1.97 g (10 mmol) in a mixture of dioxane (20 mL), water (20 mL) and 1 M NaOH (10 mL) was stirred and cooled in an ice-water bath. Ditert-butylpyrocarbonate 2.4 g (11 mmol) was added and stirring was continued at room temperature for 6 h. Then the solution was concentrated in vacuum to about 15—20 mL, cooled in an ice water bath, covered with a layer of ethyl acetate (about 30 mL) and a dilute solution of KHSO4 was added to acidify (pH 2—3). The aqueous phase was extracted with ethyl acetate and this operation was done three times. The ethyl acetate extracts were collected and dried over anhydrous Na2SO4 and evaporated in a vacuum. The pure material was obtained as a waxy solid.Yield: 2.115 g (7.25 mmol, 72.5percent)1H NMR (DMSO-d6, 400 MHz, ppm): 12.60 [s, 1H COOH], 7.29-7.25 & 7.11-7.07 [m, 4H, Aromatic protons], 4.10-3.00 [m, 1H, CaH 4F Phe], 3.03-2.77 [m, 2H, CI3H4F Phe], 1.33 [s, 9H, Boc].MALDI-TOF (matrix: a-cyano-4-hydroxy cinnamic acid (CHCA)) :mlz= [M+H] + 284.12 (calculated), 284.29 (observed), [M+Na]+ 306.11 (calculated), 306.25 (observed).
Reference: [1] Chemical Communications, 2014, vol. 50, # 76, p. 11154 - 11157
[2] Patent: WO2017/42805, 2017, A1, . Location in patent: Page/Page column 24; 25
[3] Journal of Medicinal Chemistry, 1994, vol. 37, # 13, p. 2090 - 2099
[4] Bioorganic and Medicinal Chemistry, 1996, vol. 4, # 10, p. 1733 - 1745
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Reference: [1] Patent: US5753652, 1998, A,
  • 3
  • [ 58632-95-4 ]
  • [ 1132-68-9 ]
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Reference: [1] Chemical and Pharmaceutical Bulletin, 1989, vol. 37, # 3, p. 826 - 828
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