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[ CAS No. 639863-89-1 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 639863-89-1
Chemical Structure| 639863-89-1
Chemical Structure| 639863-89-1
Structure of 639863-89-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 639863-89-1 ]

CAS No. :639863-89-1 MDL No. :MFCD11983271
Formula : C10H9N3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :FDMDQFRWRSOCPC-UHFFFAOYSA-N
M.W : 203.20 Pubchem ID :20474283
Synonyms :

Safety of [ 639863-89-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 639863-89-1 ]

* 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.

  • Downstream synthetic route of [ 639863-89-1 ]

[ 639863-89-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 628-36-4 ]
  • [ 1197-55-3 ]
  • [ 639863-89-1 ]
YieldReaction ConditionsOperation in experiment
93% With chloro-trimethyl-silane; triethylamine; In pyridine; at 100℃; Adapting a protocol by Catarzi et al (J. Med Chem., 2001, 44, 3157-3165), [DIFORMYLHYDRAZINE] (352 mg, 4.0 mmol) and then dropwise trimethylsilyl chloride (2.53 mL, 20 mmol) and Et3N (1.30 mL, 9.3 mmol) were added to a suspension of 4- aminophenylacetic acid (201 mg, 1.33 mmol) in anhydrous pyridine. The mixture was heated at [100 °C] overnight, volatiles were removed at reduced pressure and the resulting solid was treated with water (6 mL), collected, washed with [HA0] and dried in [VACUO TO] provide 251 mg (93percent) of 141JP01 as a light brown solid. LCMS m/z 204 [[M+H] +.APOS;H-] NMR (DMSO-d6) [8] 9.05 (s, 2H), 7.62 (d, 1H, J= 8.6), 7.40 (d, 1H, J= 8.2), 3.61 (s, 2H).
  • 2
  • [ 639863-89-1 ]
  • [ 639862-82-1 ]
  • [ 639863-72-2 ]
YieldReaction ConditionsOperation in experiment
54% With N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate In DMF (N,N-dimethyl-formamide) at 20℃; for 2h; N-{1-[2-(1,3-Dioxan-2-yl)ethyl]piperidin-4-yl}-N-(4-fluorobenzyl)-2-[4(1,2,4-triazol-4- yl)phenyl]acetamide, L-tartrate (141JP13). The acid 141JP01 (35 mg, 0.17 mmol), [N {1- [2- (1,] 3-dioxan-2-yl) ethyl] piperidin-4- [YL}-N-(4-FLUOROBENZYL)] amine [(118AF52-95,] 55 mg, 0.17 mmol) and diisopropylethylamine (52 mg, 0.51 mmol) were dissolved in DMF (5 mL). Bromo-tris-pyrrolidino-phosphonium hexafluorophosphate (PyBroP, 119 mg, 0.25 mmol) was added, and the mixture was stirred at rt for 2 h. The mixture was concentrated and passed onto an acidic ion exchange SPE cartridge. The cartridge was washed with methanol (8x4 mL) and the remaining product was eluted off the column with 10% NH40H in methanol (2x4 mL) and evaporated. The resulting oil was purified as in [121JP34] to give 47 mg (54 %) of [141JP13] as a colourless oil. The L-tartrate salt was prepared as described above. Rf = 0.26 [(MEOH/CH2CL2] 1: 10). LCMS [M/Z] [508] [[M+H] +.'H-NMR (CDC13,] rotamers 0.5 : 0.5) 8 8.47 and 8.41 (2s, 1H, -H), 7.48-6. 89 (m, 8H, Ar-H), 4.62-4. 56 (m, 0.6H, pip-H), 4.56-4. 49 (m, 3H, dioxane-H, benzyl-H), 4.10-4. 01 (m, 2H, dioxane-H), 3.79 and 3.61 (2s, 2H, benzyl-H), 3.77-3. 67 (m, 2.4H, pip-H, dioxane-H), 2.94-2. 84 (m, 2H, pip- H), 2.45-2. 35 (m, 2H, [NCH2),] 2.10-1. 43 (m, 9H, dioxane-H, NCH2CH2, pip-H), 1.37-1. 27 (m, 1 H, dioxane-H).
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