401455

4,4,4-トリフルオロ-2-ブチン酸エチル

97%

• 化学式: CF₃C≡CCO₂C₂H₅
• CAS番号: 79424-03-6
• 分子量: 166.10
• Beilstein: 3539414
• MDL番号: MFCD00192167
• UNSPSCコード: 12352100
• PubChem Substance ID: 24865017
• NACRES: NA.22

特性

• 品質水準: 100
• アッセイ: 97%
• フォーム: liquid
• 屈折率: n20/D 1.350 (lit.)
• bp: 96-98 °C (lit.)
• 密度: 1.162 g/mL at 25 °C (lit.)
• 官能基: ester; fluoro
• SMILES記法: CCOC(=O)C#CC(F)(F)F
• InChI: 1S/C6H5F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2H2,1H3
• InChI Key: SFDRHPQGYUYYNX-UHFFFAOYSA-N

詳細

詳細

Ethyl 4,4,4-trifluoro-2-butynoate is an unsymmetrical internal alkyne.

アプリケーション

Ethyl 4,4,4-trifluoro-2-butynoate has been used to investigate the regioselectivity of the insertion reaction with cyclometalated iridium and rhodium complexes.

It may be used in the synthesis of the following compounds :

• (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(5-(ethoxycarbonyl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-1H-benzo[f]isochromene-7-carboxylate
• (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(6-(ethoxycarbonyl)-5-(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-1Hbenzo[f]isochromene-7-carboxylate

安全性情報

• ピクトグラム: GHS02,GHS07
• シグナルワード: Danger
• 危険有害性情報: H225,H315,H319,H335
• 注意書き: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• 危険有害性の分類: Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• ターゲットの組織: Respiratory system
• 保管分類コード: 3 - Flammable liquids
• WGK: WGK 3
• 引火点(°F): 42.8 °F - closed cup
• 引火点(℃): 6 °C - closed cup
• 個人用保護具 (PPE): Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter