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About This Item
线性分子式:
BrC6H3(Cl)F
CAS号:
分子量:
209.44
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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方案
98%
折射率
n20/D 1.556 (lit.)
沸点
91-92 °C/20 mmHg (lit.)
密度
1.678 g/mL at 25 °C (lit.)
SMILES字符串
Fc1cc(Cl)ccc1Br
InChI
1S/C6H3BrClF/c7-5-2-1-4(8)3-6(5)9/h1-3H
InChI key
FPNVMCMDWZNTEU-UHFFFAOYSA-N
一般描述
1-溴-4-氯-2-氟苯是一种多卤取代苯。可与2-氰基芳基硼酸酯经Suzuki偶联反应形成相应的联苯化合物。这些联苯化合物可作为前体合成6-取代菲啶。†1-溴-4-氯-2-氟苯的沸点(467.15K)蒸发焓为40.737kjoule/mol。{4}
应用
1-溴-4-氯-2-氟苯可用于制备1,4-二氢-1,4-甲桥萘(benzonorbornadiene)衍生物。也可作为起始原料，用于多步合成一种IKK2（核因子κ-B激酶-2抑制蛋白）抑制剂——AZD3264。
储存分类代码
10 - Combustible liquids
WGK
WGK 3
闪点(°F)
198.0 °F - closed cup
闪点(°C)
92.2 °C - closed cup
个人防护装备
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Synthesis of substituted 2-cyanoarylboronic esters.
Lysen M, et al.
The Journal of Organic Chemistry, 71(6), 2518-2520 (2006)
K C Caster et al.
The Journal of organic chemistry, 66(9), 2932-2936 (2001-04-28)
This report details the synthesis of several benzonorbornadienes by Diels--Alder cycloaddition of cyclopentadiene derivatives with substituted benzyne intermediates, which were generated by low-temperature metal--halogen exchange of halobenzenes. General conditions were developed, allowing synthesis of most benzonorbornadienes described herein at the
Exploiting the Differential Reactivities of Halogen Atoms: Development of a Scalable Route to IKK2 Inhibitor AZD3264
Murugan A, et al.
Organic Process Research & Development, 18(5), 646-651 (2014)
Thermophysical Properties of Chemicals and Hydrocarbons, 435-435 (2008)
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