CAS: 1242733-91-0; Potassium Trifluoro(Pyrimidin-5-yl)Borate

英文名称Potassium Trifluoro(Pyrimidin-5-yl)Borate
中文名称三氟(嘧啶-5-基)硼酸钾
IUPAC名称potassium trifluoro(pyrimidin-5-yl)borate
其它别名(嘧啶-5-基)三氟硼酸钾; Potassium Pyrimidine-5-Trifluoroborate
CAS编号1242733-91-0
MFCD编号:MFCD09992922
EINECS号:695-476-5
分子式:C4H3BF3KN2分子量:185.98
产品CID: 350882
产品分类有机原料→分子砌块→芳杂环类化合物→嘧啶类化合物

相似结构搜索
InChIKey: FLVBHQQPIJARSC-UHFFFAOYSA-N
InChI=1S/C4H3BF3N2.K/c6-5(7,8)4-1-9-3-10-2-4;/h1-3H;/q-1;+1
计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数1.0

相似化合物

109299-78-7 696602-91-2 2241877-01-8

物理性质

熔点99-103 °C
沸点99-103 °C
PSA:25.78
LogP:-2.465
外观形态粉末
储存条件2-8°C, sealed storage, away from moisture
产品应用该化合物用于多用途和稳定的BORONIC酸代孕剂,参与C-O活化和交叉反应的有机三氯氟乙烷.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(吸入)
急性毒性类别4(经皮)
急性毒性类别4(经口)
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
警示词Warning(警告)
危险描述H332 |吸入有害.
H312 |皮肤接触有害.
H302 |吞咽有害.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险品标志Xn
安全声明26-36/37/39-45
危险类别码20/21/22-36/37/38
WGK Germany2.0

欧盟法规

C&L通报

上下游产品

pyrimidine 5-boronic acid

合成工艺路线路线简述

合成目标产物 Potassium Pyrimidine-5-Trifluoroborate 主要起始原料 5-Pyrimidinylboronic Acid
(文献来源)合成步骤主要原料 5-Pyrimidinylboronic Acid

📜5-嘧啶硼酸置于potassium Hydrogen Difluoride体系中,用甲醇,水用作溶剂,以52%的收率获得嘧啶-5-三氟硼酸钾
参考文献:Nickel-Catalyzed C−o Activation Of Phenol Derivatives With Potassium Heteroaryltrifluoroborates
标题:Nickel-Catalyzed C−o Activation Of Phenol Derivatives With Potassium Heteroaryltrifluoroborates
摘要:A General Method Based On Nickel-Catalyzed C-O Activation Of Various Phenol Derivatives With Potassium (Hetero)Aryltrifluoroborates Has Been Developed. A Large Number Of Heterobiaryls Can Be Easily Obtained With Yields Up To 99% Using Methanesulfonate Cross-Coupling Partners.
Doi:10.1021/ol101592R