1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride
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- 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-((methyl-λ2-azanyl)methyl)-1H-pyrazole-5-carbonitrile hydrochloride;1-Methyl-3-[(methylamino)methyl]-1H-pyrazole-5-carbonitrile hydrochloride (1:1)
- CBNumber:
- CB03054477
- Summenformel:
- C7H11ClN4
- Molgewicht:
- 186.64
- MOL-Datei:
- 1643141-20-1.mol
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1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride Eigenschaften
Sicherheit
- Risiko- und Sicherheitserkl?rung
- Gefahreninformationscode (GHS)
Bildanzeige (GHS) |
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Alarmwort |
Warnung |
Gefahrenhinweise |
Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
H302 |
Gesundheitssch?dlich bei Verschlucken. |
Akute Toxizit?t oral |
Kategorie 4 |
Warnung |
src="/GHS07.jpg" width="20" height="20" /> |
P264, P270, P301+P312, P330, P501 |
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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/Beh?lter ... (Entsorgungsvorschriften vom Hersteller anzugeben) zuführen. |
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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
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To 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 H?ndler.
Global( 102)Lieferanten
- 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
- 1-methyl-3-((methyl-λ2-azanyl)methyl)-1H-pyrazole-5-carbonitrile hydrochloride
- 1643141-20-1