CAS: 941294-28-6; 5-Bromo-4-Cyclohexylpyrimidine

• 英文名称5-Bromo-4-Cyclohexylpyrimidine
• 中文名称5-溴-4-环己基嘧啶
• IUPAC名称5-bromo-4-cyclohexylpyrimidine
• 其它别名5-Bromo-4-Cyclohexylpyrimidine; 5-Bromanyl-4-Cyclohexyl-Pyrimidine
• CAS编号941294-28-6
• MFCD编号:MFCD09475877
• 分子式:C10H13BrN2分子量:241.13
• 产品CID: 1988046
• 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: FUGQEFNAVDJHID-UHFFFAOYSA-N
• InChI=1S/C10H13BrN2/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h6-8H,1-5H2
• 计算化学: 氢键受体数2.0氢键供体数*可旋转键数1.0

相似化合物

物理性质

• 沸点307.1 °C at 760 mmHg
• 闪点139.5 °C
• 密度1.391 g/cm3
• PSA:25.78
• LogP:3.2868
• 储存条件2-8°C

MSDS等安全信息

• 警示词warning
• 危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
• 防范说明P264Thoroughly clean after treatmentP280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective maskP305If it enters the eyesP351Rinse carefully with water for a few minutesP338Remove the contact lens(If any)And easy to operate,Continue flushingP337If eye irritation persistsP313Obtain medical advice/care
• 安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body

上下游产品

合成工艺路线路线简述

• 4595-59-9 + 108-85-0 = 941294-28-6
  反应条件:1.1 Reagents: Butyllithium,2,2,6,6-Tetramethylpiperidine Solvents: Tetrahydrofuran,Hexane; -40 °C; -40 °C -> 0 °C; 30 Min,0 °C1.2 Reagents: Magnesate(1-),Dichloro(2,2,6,6-Tetramethylpiperidinato)-,Lithium (1:1) Solvents: Tetrahydrofuran; 0 °C; 30 Min,0 °C; 0 °C -> 25 °C; 1 H,25 °C1.3 Reagents: Zinc Chloride Solvents: Tetrahydrofuran; 0.5 H,25 °C; 25 °C -> -40 °C1.4 Reagents: Dilithium Dichlorocyanocuprate Solvents: Tetrahydrofuran; -40 °C; -40 °C -> 25 °C; Overnight,25 °C1.5 Reagents: Ammonium Chloride Solvents: Water; 25 °C
  标题:Direct Zincation Of Functionalized Aromatics And Heterocycles By Using A Magnesium Base In The Presence Of Zncl2
  作者:Dong,Zhibing; Clososki,Giuliano C.; Wunderlich,Stefan H.; Unsinn,Andreas; Li,Jinshan; Et Al
  参考文献:Chemistry - A European Journal 日期:2009 卷标:15(2) 页码:457-468]
  
  4595-59-9 = 941294-28-6 + 1817606-82-8
  反应条件:1.1 Reagents: Potassium Persulfate Catalysts: Tetrabutylammonium Bromide Solvents: 1,2-Dichloroethane,Water; 5 H,120 °C
  标题:Cross-Dehydrogenative Coupling Of α-C(Sp3)-H Of Ethers/alkanes With C(Sp2)-H Of Heteroarenes Under Metal-Free Conditions
  作者:Ambala,Srinivas; Thatikonda,Thanusha; Sharma,Shweta; Munagala,Gurunadham; Yempalla,Kushalava Reddy; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2015 卷标:13(46) 页码:11341-11350

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管