Alternatived Products of [ 19798-77-7 ]
Alternatived Products of [ 19798-77-7 ]
Product Details of [ 19798-77-7 ]
CAS No. : | 19798-77-7 | MDL No. : | MFCD03984473 |
Formula : |
C5H5ClN2
|
Boiling Point : |
- |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 128.56 | Pubchem ID : | 581853 |
Synonyms : |
|
Computed Properties of [ 19798-77-7 ]
TPSA :Topological Polar Surface Area |
38.9 |
H-Bond Acceptor Count : |
2 |
XLogP3 : |
0.8 |
H-Bond Donor Count : |
1 |
SP3 : |
0.00 |
Rotatable Bond Count : |
0 |
Application In Synthesis of [ 19798-77-7 ]
- Upstream synthesis route of [ 19798-77-7 ]
- Downstream synthetic route of [ 19798-77-7 ]
- 1
-
[ 19798-77-7 ]

-
[ 160725-09-7 ]

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N-(3-chloropyridin-4-yl)-2-oxo-2-(1-propoxy-1H-indol-3-yl)acetamide
[ No CAS ]
Yield | Reaction Conditions | Operation in experiment |
|
|
To a cold solution of 11 in MeOH (0C) was added sodium tungstate dehydrate (0.3 equiv.) and dropwise hydrogen peroxide (30%, 10 equiv.), stirred at 10-15C for 1h, then added CH2Cl2 and water and stirred for 10min. After separation, washed with brine, and dried over anhydrous Na2SO4, the organic phase was evaporated to give a residue; then added DMF, K2CO3 (3 equiv.), and the alkyl halide (1.5 equiv.), stirred at room temperature for 2h, and followed by addition of water and ethyl acetate then stirring for 10min. The organic layer was separated, dried over anhydrous Na2SO4, and evaporated to give a residue. The residue was dissolved in diethyl ether, added oxalyl chloride (1.5 equiv.) dropwise at 0C, and stirred at room temperature for 2h. After removal of the diethyl ether and re-dissolving in CH2Cl2, to the solution was added <strong>[19798-77-7]4-amino-3-chloropyridine</strong> (1.2 equiv.) and triethylamine (2.0 equiv.) dropwise at 0C then stirred at room temperature for 3h. Evaporation of the solvent gave a residue that was purified by silica gel column chromatography (petroleum ether/ethyl acetate 1:1) to furnish 14. To a solution of 14 (1 equiv.) in methanol was added sodium borohydride (3.0 equiv.), stirred for 1h, then diluted with water and extracted with ethyl acetate. The ethyl acetate layer was washed with brine then evaporated to afford a residue, which was purified by silica gel column chromatography (petroleum ether/ethyl acetate 1:1) to obtain 15. |
- 2
-
[ 78-95-5 ]

-
[ 17758-33-7 ]

-
[ 19798-77-7 ]
- 3
-
[ 19798-77-7 ]

-
2-acetyl-7-methoxybenzofuran 4-carboxylic acid
[ No CAS ]

-
2-acetyl-7-methoxy-benzofuran-4-carboxylic acid (3-chloro-pyridin-4-yl)-amide
[ No CAS ]
- 4
-
[ 55934-00-4 ]

-
[ 19798-77-7 ]
- 5
-
[ 19798-77-7 ]

-
[ 22889-78-7 ]
- 6
-
[ 55934-00-4 ]

-
ammonium hydroxide
[ No CAS ]

-
[ 19798-77-7 ]
Yield | Reaction Conditions | Operation in experiment |
|
|
Following the procedure of Example 1 and substituting equal molar amounts of the following for 3-amino-2-chloropyridine: <strong>[19798-77-7]4-amino-3-chloropyridine</strong>, 3-amino-4-chloropyridine, and 2-amino-3-chloropyridine, |
- 9
-
3,3,5-trichloropiperidin-4-one
[ No CAS ]

-
[ 19798-77-7 ]
Yield | Reaction Conditions | Operation in experiment |
89.5% |
With ammonium hydroxide; In dichloromethane; at 35 - 40℃; for 4h; |
In a 500 ml four-necked flask equipped with a stirring, thermometer, and reflux condenser,100 g of dichloromethane, 12.0 g (0.05 mol) of 3,3,5-trichloropiperidin-4-one obtained in Example 3, 30.0 g (0.3 mol) of 17% ammonia water, and stirred at 35-40 C for 4 hours, Cool to 20-25 C, separate the layers, extract the water layer twice with 20 grams of dichloromethane each time, combine the organic phases, and recover the solvent by distillation to obtain 5.75 grams of <strong>[19798-77-7]3-chloro-4-aminopyridine</strong> with a yield of 89.5% ( The yield was based on piperidin-4-one hydrochloride), and the liquid purity was 98.9%. |
- 10
-
[ 19798-77-7 ]

-
2-(5-iodo-3-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7(4H)-yl)acetic acid
[ No CAS ]

-
N-(3-chloropyridin-4-yl)-2-(5-iodo-3-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7(4H)-yl)acetamide
[ No CAS ]
Yield | Reaction Conditions | Operation in experiment |
95% |
With N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 2.08333h; |
To a (100 ml_) round bottom flask was added 2-(5-iodo-3-methyl- 4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7(4H)-yl)acetic acid (1.2 g, 3.60 mmol), HATU (1.370 g, 3.60 mmol) and <strong>[19798-77-7]4-amino-3-chloropyridine</strong> (0.695 g, 5.40 mmol). N,N- dimethylformamide (DMF) (Volume: 7 mL) was added. The mixture was stirred at room temperature for 2 hrs after which an additional amount HATU (0.5 eqv) was added until reaction was judged complete by LCMS. A mixture of EtOAc/Hexanes (50 ml, 1 :4) was added and the crude mixture stirred for an additional 5 minutes. The top layer was decanted and the resulting mixture was treated with 50 mL of water. The resulting precipitate was filtered, dried under vacuum at 45-50C to afford the desired product (1.582g, 95% yield); LCMS [M+H]+ 444.99. |