Ethyl 6-chloro-3-pyridazinecarboxylate
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Ethyl 6-chloro-3-pyridazinecarboxylate
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CAS No:
75680-92-1
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Formula:
C7H7ClN2O2
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Chemical Name:
Ethyl 6-chloro-3-pyridazinecarboxylate
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Synonyms:
3-Pyridazinecarboxylic acid,6-chloro-,ethyl ester;Ethyl 6-chloro-3-pyridazinecarboxylate
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CAS No:
Characteristics
52.1
0.1
White to off-white Crystalline Powder
1.3±0.1 g/cm3
147-149 °C
320°C at 760 mmHg
147.4±22.3 °C
1.527
Ethyl 6-chloro-3-pyridazinecarboxylate Use and Manufacturing
A solution of 15 (1.17 g, 6.96 mmol) in phosphorus oxychloride (12 mL) was heated at 100 °C for 2 h. After cooling, the solution was concentrated in vacuo to 3 mL, and the residue was carefully poured into ice water, slowly neutralized with 10percent NaOH aqueous solution in ice bath, and then extracted with ethyl acetate. The organic layer was washed with saturated NaCl aqueous solution, dried over anhydrous MgSOThe compound 33a obtained in the previous step was placed in a 25 mL one-necked round bottom flask, Nitrogen substitution, Add 12mL of phosphorus oxychloride, Heated to 100 ° C reaction 2h, The reaction was stopped, Cooling and standing, The reaction solution was slowly poured into ice water under magnetic stirring, And then with 10percent sodium hydroxide solution adjusted PH value of about 7, Precipitation solid, filtration, silica gel column chromatography separation and purification, Obtained as a white solid 812.4 mg.Yield: 55percent;The carboxylic acid (243 mg, 1.53 mmol) was dissolved in ~15 mL of ethanol and treated with 24 mg (0.2 mmol) of dimethylaminopyridine (DMAP) followed by 324 mg (1.69 General procedure: To a suspension of
Computed Properties
Molecular Weight:186.59
XLogP3:0.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:186.0196052
Monoisotopic Mass:186.0196052
Topological Polar Surface Area:52.1
Heavy Atom Count:12
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 6-chloro-3-pyridazinecarboxylate
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