930067

2-(Pyrimidin-5-yl)benzaldehyde

• 经验公式（希尔记法）: C₁₁H₉N₂O
• 分子量: 185.20
• MDL號碼: MFCD02684096
• 分類程式碼代碼: 12352101
• NACRES: NA.06

属性

• 形狀: powder or chunks
• 品質等級: 100
• mp: 119-120 °C
• 官能基: aldehyde
• 儲存溫度: −20°C
• SMILES 字串: n1cncc(c1)c2c(cccc2)C=O
• InChI: 1S/C11H8N2O/c14-7-9-3-1-2-4-11(9)10-5-12-8-13-6-10/h1-8H
• InChI 密鑰: JPSJBEALHNYNBL-UHFFFAOYSA-N

说明

應用

2-(Pyrimidin-5-yl)benzaldehyde is a temporary directing group (TDG) to assist as a co-catalyst for metal catalyzed C-H functionalization. Often in C-H functionalization, an auxiliary compound is used to control site selectivity. These traditionally are covalently bonded to the compound of interest, and must subsequently be removed after functionalization, like a typical protecting group. To simplify the process of C-H functionalization, 2-fluoro-6-(pyrimidin-5-yl)aniline is one of a series of temporary directing groups developed by Deb Maiti′s lab that promote site selectivity without the inclusion of additional synthetic steps.


2-(pyrimidin-5-yl)benzaldehyde is an effective TDG for meta directed C-H functionalization of amine substituted target compounds, with high selectivity.

其他說明

Imine as a linchpin approach for meta-C–H functionalization

https://www.nature.com/articles/s41570-021-00311-3">Transient directing ligands for selective metal-catalysed C–H activation

安全信息

• 象形圖: GHS07
• 訊號詞: Warning
• 危險聲明: H302,H315,H319,H335
• 防範說明: P261 - P264 - P270 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• 危險分類: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• 標靶器官: Respiratory system
• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable