650628-19-6|5-Amino-1-(2-methoxyphenyl)-1H-pyrazole-4-carbonitrile| Ambeed

Yield	Reaction Conditions	Operation in experiment
53%	With sodium methylate; In ethanol; for 18h;Heating / reflux;	To a solution of 1-(2-methoxyphenyl)hydrazine hydrogen chloride (3 g, 0.017 mol) in ethanol (50 mL) was added 2-(methoxymethylene)malononitrile (1.89 g, 0.9 eq.) and sodium methoxide (1.92 g, 2.1 eq). The reaction mixture was heated at reflux for 18 h and concentrated. The reaction mixture was partitioned between brine and ethyl acetate. The organic layer was separated, dried with magnesium sulfate, filtered and concentrated. MPLC Biotage chromatography eluding with 20-60% ethyl acetate/hexanes afforded the title compound in 53% yield (1.9 g). 400 MHz 1H NMR (CDCl3) delta 7.64 (m, 1 H), 7.40 (m, 2H), 7.08 (m,2H), 4.51 (bs, 2H), 3.87 (s, 3 H); MS: (M+H m/z=215.2).
53%	With sodium methylate; In ethanol; for 18h;Heating / reflux;	a) 5-amiotano-1 -(2-methoxyphenyl)-1 H-pyrazole-4-carboniotatriotaleTo a solution of 1 -(2-methoxyphenyl)hydraziotane hydrogen chloride (3g, O 017 mol) in ethanol (50 mL) was added 2-(methoxymethylene)malononiotatriotale (1 89 g, 0 9 eq ) and sodium methoxide (1 92g, 2 1 eq) The reaction mixture was heated at reflux for 18h and concentrated The reaction mixture was partitioned between brine and ethyl acetate The organic layer was separated, dried with magnesium sulfate, filtered and concentrated MPLC Biotage chromatography eluting with 20-60% ethyl acetate/hexanes afforded the title compound in 53% yield (1 9g) 400 MHz 1 H NMR (CDCI3) delta 7 64 (m, <n="50"/>1 H), 7 40 (m, 2H), 7 08 (m,2H), 4 51 (bs 2H), 3 87 (s, 3 H), MS (M+H m/z =215

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H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
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H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
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Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

5-Amino-1-(2-methoxyphenyl)-1H-pyrazole-4-carbonitrile

CAS No.: 650628-19-6

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[ 650628-19-6 ] Synthesis Path-Downstream 1~2

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