433853

5-クロロ-3-メチル-1-フェニル-4-ピラゾールカルボキシアルデヒド

99%

• 実験式（ヒル表記法）: C₁₁H₉ClN₂O
• CAS番号: 947-95-5
• 分子量: 220.65
• MDL番号: MFCD00100755
• UNSPSCコード: 12352100
• PubChem Substance ID: 24867155
• NACRES: NA.22

特性

• アッセイ: 99%
• フォーム: solid
• mp: 145-148 °C (lit.)
• 官能基: aldehyde; chloro
• SMILES記法: Cc1nn(c(Cl)c1C=O)-c2ccccc2
• InChI: 1S/C11H9ClN2O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-7H,1H3
• InChI Key: DKZPJLZXLKAMDO-UHFFFAOYSA-N

詳細

詳細

5-Chloro-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde (5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde) can be synthesized from 3-methyl-1-phenyl-1Hpyrazol-5(4H)-one under Vilsmeier-Haack reaction conditions.[1] Knoevenagel condensation of 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde with ethylcyanoacetate at 0°C has been reported to afford ethyl-2-cyano-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-yl)propionate.[2] It participates in the synthesis of 2-((5-phenoxy-3-methyl-1-phenyl-1H-pyrazol- 4-yl)methylene)hydrazinecarbothiomide derivatives with a potential anticonvulsant property.[3]

アプリケーション

5-Chloro-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde (5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde) may be employed as starting material for the following syntheses:

• 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde hydrazone[1]
• N¹-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)thiosemicarbazone[1]
• pyrazole derivatives, which were pharmacologically evaluated for analgesic (tail flick) and anti-inflammatory (based on carrageenan-induced paw edema) activities[4]
• N′-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4- yl)methylene] 2/4-substituted hydrazides[5]

安全性情報

• ピクトグラム: GHS07
• シグナルワード: Warning
• 危険有害性情報: H315,H319,H335
• 注意書き: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• 危険有害性の分類: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• ターゲットの組織: Respiratory system
• 保管分類コード: 11 - Combustible Solids
• WGK: WGK 3
• 引火点(°F): Not applicable
• 引火点(℃): Not applicable
• 個人用保護具 (PPE): dust mask type N95 (US), Eyeshields, Gloves