1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride

1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride Struktur
1643141-20-1
CAS-Nr.
1643141-20-1
Englisch Name:
1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride
Synonyma:
EOS-60596;PF06463922 impurity;2-METHYL-5-(METHYLAMINOMETHYL)PYRAZOLE-3-CARBONITRILE HCL;1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrileh...;1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrile HCl;2-methyl-5-(methylaminomethyl)pyrazole-3-carbonitrile hydrochloride;Methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloridesalt;1H-Pyrazole-5-carbonitrile, 1-methyl-3-[(methylamino)methyl]-, hydrochloride;1-Methyl-3-[(methylamino)methyl]-1H-pyrazole-5-carbonitrile hydrochloride (1:1);1H-Pyrazole-5-carbonitrile, 1-methyl-3-[(methylamino)methyl]-, hydrochloride (1:1)
CBNumber:
CB03054477
Summenformel:
C7H11ClN4
Molgewicht:
186.64
MOL-Datei:
1643141-20-1.mol

1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride Eigenschaften

Sicherheit
  • Risiko- und Sicherheitserklärung
  • Gefahreninformationscode (GHS)
Bildanzeige (GHS) GHS hazard pictograms
Alarmwort Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code
H302 Gesundheitsschädlich bei Verschlucken. Akute Toxizität oral Kategorie 4 Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" /> P264, P270, P301+P312, P330, P501
Sicherheit
P264 Nach Gebrauch gründlich waschen.
P264 Nach Gebrauch gründlich waschen.
P270 Bei Gebrauch nicht essen, trinken oder rauchen.
P301+P312 BEI VERSCHLUCKEN: Bei Unwohlsein GIFTINFORMATIONSZENTRUM/Arzt/... (geeignete Stelle für medizinische Notfallversorgung vom Hersteller/Lieferanten anzugeben) anrufen.
P330 Mund ausspülen.
P501 Inhalt/Behälter ... (Entsorgungsvorschriften vom Hersteller anzugeben) zuführen.

1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride Chemische Eigenschaften,Einsatz,Produktion Methoden

Verwenden

1-Methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrile hydrochloride can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.

Synthese

1.jpgTo compound 19 (7.0 kg, 26.1 mol) in DCM (30 L) at O℃ was added triethylamine (5.85 kg, 57.8 mol). The mixture was further cooled to -6°C then trifluoroacetic anhydride (5.85 kg, 27.8 mol) added over 90 minutes [temp kept 0 to 5°C], TLC assay showed the reaction was incomplete. Additional triethylamine (4.1 kg, 40.5 mol) and trifluoroacetic acid (4.1 kg, 19.5 mol) 10 were added over 2 hours until TLC showed complete reaction. The reaction mixture was quenched in to water (40 L) [temp to 23°C], The layers were separated and the aqueous re- extracted with DCM (8 L). The organic layers were sequentially washed with brine (7 L), filtered through a pad of silica (3 kg) and eluted with DCM (10 L). The filtrate was evaporated and chromatographed (9 kg silica, eluent 10-30% EtOAc in hexane). Product fractions were 15 evaporated and azeotroped with IPA to afford compound 20 (6.86 kg, ~94 wt%, 25.8 mol, 99%) as an orange oil. To compound 20 (6.86 kg, ~94 wt%, 25.8 mol) in IPA (35 L) at 17°C was added 37% hydrochloric acid (6.4 L, 77.4 mol). The mixture was heated to 35°C overnight then concentrated 20 to a moist solid and residual water azeotroped with additional IPA (8 L). The resulting moist solid was triturated with MTBE (12 L) at 45°C for 30 minutes then cooled to 20°C and filtered, washing with MTBE (5 L). The solids were dried under vacuum at 45°C to afford compound 21 (4.52 kg, 24.2 mol, 94%) as a white solid. 1H-NMR was consistent with desired product; mp 203-205°C; HPLC 99.3%.

1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte


1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

Global( 94)Lieferanten
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Henan Fengda Chemical Co., Ltd
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info@fdachem.com China 7786 58
Capot Chemical Co.,Ltd.
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Suzhou Ryan Pharmachem Technology Co.,Ltd.
+86-512-68780025 +8618962125825
sales@ryanchem.com China 137 58
Neostar United (Changzhou) Industrial Co., Ltd.
+86-519-519-85557386
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Shanghai UCHEM Inc.
+862156762820 +86-13564624040
sales@myuchem.com China 6710 58
ANHUI WITOP BIOTECH CO., LTD
+8615255079626
eric@witopchemical.com China 23556 58
Labnetwork lnc.
+86-27-50766799 +8618062016861
contact@labnetwork.com China 19994 58
Hefei TNJ Chemical Industry Co.,Ltd.
0551-65418684 +8618949823763
sales@tnjchem.com China 25363 58
Jiangxi Huihe Chemical Co., Ltd.
+86-19189228086 +8618858568638
wuzhouding@huihecrop.com China 886 58

  • EOS-60596
  • 1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrile HCl
  • 1H-Pyrazole-5-carbonitrile, 1-methyl-3-[(methylamino)methyl]-, hydrochloride
  • 1H-Pyrazole-5-carbonitrile, 1-methyl-3-[(methylamino)methyl]-, hydrochloride (1:1)
  • 2-METHYL-5-(METHYLAMINOMETHYL)PYRAZOLE-3-CARBONITRILE HCL
  • 1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrileh...
  • 2-methyl-5-(methylaminomethyl)pyrazole-3-carbonitrile hydrochloride
  • 1-Methyl-3-[(methylamino)methyl]-1H-pyrazole-5-carbonitrile hydrochloride (1:1)
  • Methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloridesalt
  • PF06463922 impurity
  • 1643141-20-1
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