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[ CAS No. 871335-85-2 ] {[proInfo.proName]}

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Chemical Structure| 871335-85-2
Chemical Structure| 871335-85-2
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Product Details of [ 871335-85-2 ]

CAS No. :871335-85-2 MDL No. :MFCD16249846
Formula : C6H5ClN4 Boiling Point : -
Linear Structure Formula :- InChI Key :XFDFMJYQFBHDMF-UHFFFAOYSA-N
M.W : 168.58 Pubchem ID :58931410
Synonyms :

Safety of [ 871335-85-2 ]

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
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Application In Synthesis of [ 871335-85-2 ]

* 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 [ 871335-85-2 ]

[ 871335-85-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 60025-06-1 ]
  • [ 871335-85-2 ]
YieldReaction ConditionsOperation in experiment
89% With triethylamine; hydrazine; In 1,4-dioxane; at 0 - 20℃; for 18h; A solution of <strong>[60025-06-1]1-(4,6-dichloropyrimidin-5-yl)ethanone</strong> (3.81 g, 19.9 mmol) in 90 mL of dioxane at 0 0C was treated with triethylamine (2.78 mL, 19.9 mmol) and hydrazine hydrate (1.16 mL, 23.9 mmol). After addition, the reaction was stirred for 18 h at rt. The mixture was filtered and the precipitate washed with dioxane. The combined organics were evaporated and chromatographed on silica gel, eluting with 30-35% ethyl acetate/ hexanes to afford 2.98 g, (89%) of 4-chloro-3-methyl-1 H-pyrazolo[3,4-d]pyrimidine; 1H NMR (500 MHz, DMSO-cfe) delta 8.71 (1H), 2.60 (3H) ppm.
89% With triethylamine; hydrazine; In 1,4-dioxane; at 0 - 25℃; for 18h; Step 1 : A solution of <strong>[60025-06-1]1-(4,6-dichloropyrimidin-5-yl)ethanone</strong> (3.81 g, 19.9 mmol) (see Clark et al., J.C.S. Perkin 1 , 1976, 1004) in dioxane (90 mL) was cooled to O0C, and the chilled solution was treated with TEA (2.78 mL, 19.9 mmol) and hydrazine hydrate (1.16 mL, 23.9 mmol). The reaction mixture was then stirred for 18 hr. at 25SC. The mixture was filtered and the precipitate washed with dioxane. The combined filtrates were concentrated, and the resultant residue was chromatographed on silica gel, eluting with 30-35% ethyl acetate/ hexanes to provide 4-chloro-3-methyl-1 H-pyrazolo[3,4-d]pyrimidine (C24). Yield: 2.98 g, 89%. 1H NMR (500 MHz, DMSO-d6) delta: 8.71 (1 H), 2.60 (3H) ppm.
  • 2
  • [ 60025-06-1 ]
  • [ 302-01-2 ]
  • [ 871335-85-2 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In 1,4-dioxane; at 8 - 20℃; for 2.5h; Synthesis of Compound 6.1. Hydrazine hydrate (107 uL, 2.20 mmol) was slowly added to a solution of <strong>[60025-06-1]1-(4,6-dichloro-pyrimidin-5-yl)-ethanone</strong> (Clark, J. et al J. Chem. Soc. 1976, 9, 1004) (400 mg, 2.09 mmol) and triethylamine (280 uL, 2.0 mmol) in 1,4-dioxane (7 mL) at 8 C. After the addition was complete, the reaction mixture was warmed to RT. After 2.5 hr, the reaction mixture was filtered through celite and then evaporated to afford compound 6.1 (200 mg) as a yellow solid. 1H-NMR (400.13 MHz, DMSO-d6) 14.07 (s, 1H), 8.75 (s, 1H), 2.64 (s, 3H). MS m/z 169 [M+1]+.
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