1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride
1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride 物理性質
安全性情報
- リスクと安全性に関する声明
- 危険有害性情報のコード(GHS)
| 絵表示（GHS） |
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| 注意喚起語 |
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| 危険有害性情報 |
| コード |
危険有害性情報 |
危険有害性クラス |
区分 |
注意喚起語 |
シンボル |
P コード |
| H302 |
飲み込むと有害 |
急性毒性、経口 |
4 |
警告 |
|
P264, P270, P301+P312, P330, P501 |
|
| 注意書き |
| P264 |
取扱い後は皮膚をよく洗うこと。 |
| P264 |
取扱い後は手や顔をよく洗うこと。 |
| P270 |
この製品を使用する時に、飲食または喫煙をしないこ と。 |
| P301+P312 |
飲み込んだ場合：気分が悪い時は医師に連絡する こと。 |
| P330 |
口をすすぐこと。 |
| P501 |
内容物/容器を．．．に廃棄すること。 |
|
1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride 価格
| メーカー |
製品番号 |
製品説明 |
CAS番号 |
包装 |
価格 |
更新時間 |
購入 |
1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride 化学特性,用途語,生産方法
使用
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.
合成
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 上流と下流の製品情報
原材料
準備製品
1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloride 生産企業
Global( 95)Suppliers
1643141-20-1()キーワード:
- 1643141-20-1
- EOS-60596
- 1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrile HCl
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- PF06463922 impurity