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-[(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
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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
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( 98)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
- 1643141-20-1