CAS: 871940-31-7; (3-Cyano-2,4-Difluorophenyl)Boronic Acid

该化合物是一种多用途有机化合物,具有重要的合成用途.它独特的cylano和氟替代成分增强了它的活性,使其成为有机合成的有效构件.该化合物在制造与生物有关的分子,如药品和农用化学物质方面特别有用.它的高纯度和稳定性确保了各种化学转化的可靠性能.

英文名称(3-Cyano-2,4-Difluorophenyl)Boronic Acid
中文名称2.4-二氟-3-氰基苯硼酸
IUPAC名称(3-cyano-2,4-difluorophenyl)boronic acid
其它别名(3-氰基-2,4-二氟苯基)硼酸; 3-Cyano-2,4-Difluorobenzeneboronic Acid (Contains Varying Amounts Of Anhydride)
CAS编号871940-31-7
MFCD编号:MFCD12026699
EINECS号:834-074-8
分子式:C7H4BF2NO2
分子量:182.92
产品CID: 1877730
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: VQEKFJVJHSVFTM-UHFFFAOYSA-N
InChI=1S/C7H4BF2NO2/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-2,12-13H…
计算化学: 氢键受体数3.0氢键供体数2可旋转键数1

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)
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.
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
危险等级IRRITANT
危险品标志Xi

欧盟法规

C&L通报

上下游产品

CAS号1897-52-5 2,6-二氟苯腈 | CAS号883106-18-1 2,6-二氟-3-(吡啶-2-基)苯甲腈

合成工艺路线路线简述

1897-52-5 = 871940-31-7
反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Diethyl Ether,Ethylbenzene,Tetrahydrofuran,Heptane; 40 Min,-78 °C; 1 H,-78 °C1.2 Reagents: Triisopropyl Borate; -78 °C; 1 H,-78 °C; -78 °C -> Rt; 1 H,Rt1.3 Reagents: Water; 15 Min
标题:Nucleophilic Substitution Of Fluorine Atoms In 2,6-Difluoro-3-(Pyridin-2-Yl)Benzonitrile Leading To Soluble Blue-Emitting Cyclometalated Ir(Iii) Complexes
作者:Kozhevnikov,Valery N.; Et Al
参考文献:Journal Of Organic Chemistry 日期:2011 卷标:76(12) 页码:5143-5148]

1897-52-5 = 871940-31-7
反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran; -78 °C; 1 H,-78 °C1.2 Reagents: Triisopropyl Borate; -78 °C; 1 H,-78 °C; Overnight,-78 °C -> Rt
标题:Unusual Dual-Emissive Heteroleptic Iridium Complexes Incorporating Tadf Cyclometalating Ligands
作者:Benjamin,Helen; Et Al
参考文献:Dalton Transactions 日期:2020 卷标:49(7) 页码:2190-2208

2,6-二氟苯腈置于lithium Diisopropyl Amide,硼酸三异丙酯,水体系中,用四氢呋喃,乙醚,正庚烷,乙基苯作为反应溶剂,化学反应 2.92H,以81%的收率获得产物2,4-二氟-3-氰基苯硼酸
参考文献:Nucleophilic Substitution Of Fluorine Atoms In 2,6-Difluoro-3-(Pyridin-2-yl)Benzonitrile Leading To Soluble Blue-Emitting Cyclometalated Ir(Iii) Complexes
标题:Nucleophilic Substitution Of Fluorine Atoms In 2,6-Difluoro-3-(Pyridin-2-yl)Benzonitrile Leading To Soluble Blue-Emitting Cyclometalated Ir(Iii) Complexes
摘要:New Functionalized Phenylpyridine Ligands And Their Derived Heteroleptic Cyclometalated Ir(Iii) Complexes Have Been Synthesized. The Complexes Possess A Combination Of Important Properties: (I) Blue Emission,(II) Good Photoluminescence Quantum Yields,And (Iii) Good Solubility In Organic Solvents,Making Them Very Attractive As Phosphorescent Dopant Emitters For Solution-Processable Light-Emitting Devices.
DOI:10.1021/jo200357E