185175

1-ベンジル-3-ピロリジノン

98%

• 実験式（ヒル表記法）: C₁₁H₁₃NO
• CAS番号: 775-16-6
• 分子量: 175.23
• Beilstein: 1526217
• EC Number: 212-274-0
• MDL番号: MFCD00005342
• UNSPSCコード: 12352100
• PubChem Substance ID: 24850673
• NACRES: NA.22

特性

• アッセイ: 98%
• 屈折率: n20/D 1.539 (lit.)
• bp: 77 °C/0.01 mmHg (lit.)
• 密度: 1.091 g/mL at 25 °C (lit.)
• 官能基: ketone; phenyl
• 保管温度: 2-8°C
• SMILES記法: O=C1CCN(C1)Cc2ccccc2
• InChI: 1S/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2
• InChI Key: DHGMDHQNUNRMIN-UHFFFAOYSA-N

詳細

詳細

The equilibrium constant for the ketoreductase-catalyzed reduction reaction of 1-benzyl-3-pyrrolidinone has been measured in n-hexane[1]. 1-Benzyl-3-pyrrolidinone on enzymatic asymmetric reduction yields enantiopure 1-benzyl-3-hydroxypyrrolidine, well known intermediate for various drugs[2].

アプリケーション

1-Benzyl-3-pyrrolidinone was used as starting reagent in the synthesis of vinyl triflate[3]. It was used to prepare chiral, alkenyl sulfoximines leading to highly functionalized diazabicycles[4].

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: 10 - Combustible liquids
• WGK: WGK 3
• 引火点(°F): 230.0 °F - closed cup
• 引火点(℃): 110 °C - closed cup
• 個人用保護具 (PPE): Eyeshields, Gloves, type ABEK (EN14387) respirator filter