CAS: 83857-96-9; 2-Butyl-4-Chloro-1H-Imidazole-5-Carbaldehyde

• 英文名称2-Butyl-4-Chloro-1H-Imidazole-5-Carbaldehyde
• 中文名称2-正丁基-4-氯-5-甲酰基咪唑
• IUPAC名称2-butyl-5-chloro-1H-imidazole-4-carbaldehyde
• 其它别名2-正丁基-4-氯咪唑醛
• CAS编号83857-96-9
• MFCD编号:MFCD01934396
• EINECS号:410-260-0
• FDA UNII编号:7H170U0SWE
• 分子式:C8H11ClN2O
• 分子量:186.6383
• 产品CID: 1826862
• 产品分类有机原料→分子砌块→芳杂环类化合物→咪唑类化合物

• 相似结构搜索
• InChIKey: JLVIHQCWASNXCK-UHFFFAOYSA-N
• InChI=1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数4.0

相似化合物

物理性质

• 熔点97-100°C
• 沸点384.1±22.0 °C at 760 mmHg
• 闪点186.1±22.3 °C
• 密度1.2±0.1 g/cm3
• pKa:8.87±0.10(预测)
• PSA:45.75
• LogP:2.2182
• 折射率1.568
• 蒸汽压0.0±0.9 mmHg at 25°C
• 溶解性Soluble In Methanol
• 敏感性按规定使用和贮存的不会分解，避氧化物
• 外观形态淡黄色至棕色粉末至晶体
• 储存条件惰性气氛,2-8°C
• 产品应用降压药洛沙坦中间体.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS09;
  注释: Exclamation mark & Environment
• 危险类别皮肤致敏 类别1
  水生慢性毒性 类别2
  皮肤致敏 类别1A
• 警示词Warning(警告)
• 危险描述H317 |可能引起皮肤过敏反应.
  H411 |对水生生物有毒并具有长期持续影响.
• 防范说明P261-P272-P273-P280-P302+P352-P363-P391-P501
• 危险等级9
• UN编号3077.0
• 危险品标志Xi,N
• 包装等级Ⅲ
• 安全声明24-37-61
• 危险类别码43-51/53
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 2-Butyl-4-Chloro-5-Formylimidazole 主要起始原料 (2-Butyl-5-Chloro-1H-Imidazol-4-yl)Methanol
• 193140-43-1 = 83857-96-9
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Toluene; < 60 °C; 2 H,100 °C; Cooled1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 2,Cooled
  标题:An Efficient And Green Synthetic Route To Losartan
  作者:Feng,Shuangxia; Et Al
  参考文献:Journal Of Chemical Research 日期:2015 卷标:39(8) 页码:451-454]
  
  193140-43-1 = 83857-96-9
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Toluene; Rt -> 0 °C; 30 Min,< 10 °C; 10 °C -> 80 °C1.2 80 °C; 2 H,Reflux1.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 1.5,Cooled1.4 Reagents: Sodium Sulfite Solvents: Water; 8 H,65 °C
  标题:Synthesis Of Losartan
  作者:Yang,Li; Et Al
  参考文献:Zhongguo Xinyao Zazhi 日期:2006 卷标:15(22) 页码:1948-1950]
  
  = 83857-96-9
  反应条件:1.1 Reagents: Phosphorus Oxychloride1.2 Reagents: Acetic Anhydride
  标题:Three-Step Process For The Preparation Of 2-Substituted 5-Chlorimidazole-4-Carbaldehydes
  参考文献:European Patent Organization]
  
  160285-94-9 = 83857-96-9
  反应条件:1.1 Reagents: Sulfuric Acid,Ammonium Persulfate Catalysts: Ferrous Chloride Solvents: Water1.2 Reagents: Manganese Oxide (Mno2) Solvents: Acetone
  标题:Method For Preparation Of 2-Butyl-4-Chloro-5-Formylimidazole
  参考文献:Japan]
  
  57246-71-6 + 56-40-6 = 83857-96-9
  反应条件:1.1 Solvents: Methanol,Toluene,Water1.2 Reagents: Phosphorus Oxychloride1.3 Reagents: Water
  标题:Novel Syntheses Of 2-Butyl-5-Chloro-3H-Imidazole-4-Carboxaldehyde: A Key Intermediate For The Synthesis Of The Angiotensin Ii Antagonist Losartan
  作者:Griffiths,Gareth J.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1999 卷标:64(22) 页码:8084-8089]
  
  57246-71-6 + 56-40-6 = 83857-96-9
  反应条件:1.1 Reagents: Phosphorus Oxychloride; 100 °C
  标题:Synthesis,Characterization,And In Vivo Biological Evaluation Of Novel Benzimidazoles As Potential Anticancer Agents
  作者:Roopashree,Rangaswamy; Et Al
  参考文献:Asian Journal Of Pharmaceutical And Clinical Research 日期:2014 卷标:7(5) 页码:309-313]
  
  56-40-6 = 83857-96-9
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol; 12 H,20 °C1.2 Reagents: Potassium Hydroxide Solvents: Toluene1.3 Solvents: Methanol,Water; 15 H,40 °C1.4 Reagents: Phosphorus Oxychloride; 3 H,100 °C
  标题:A Rapid And Efficient Synthesis Of 2-Butyl-5-Chloro-3H-Imidazole-4-Carboxaldehyde
  作者:Srinivas,K.; Et Al
  参考文献:Synthesis 日期:2004 卷标:(4) 页码:506-508]
  
  53704-09-9 + 57246-71-6 = 83857-96-9
  反应条件:1.1 Solvents: Methanol; Overnight,Rt1.2 Reagents: Phosphorus Oxychloride Solvents: Dimethylformamide,Chlorobenzene; Reflux
  标题:Novel Synthesis Of 2-Butyl-5-Chloro-3H-Imidazole-4-Carbaldehyde: A Key Intermediate Of Losartan
  作者:Sun,Hai Bo; Et Al
  参考文献:Chinese Chemical Letters 日期:2009 卷标:20(3) 页码:269-270]
  
  57246-71-6 + 5680-79-5 = 83857-96-9
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol1.2 Solvents: Toluene1.3 Reagents: Phosphorus Oxychloride1.4 -1.5 Reagents: Water
  标题:Novel Syntheses Of 2-Butyl-5-Chloro-3H-Imidazole-4-Carboxaldehyde: A Key Intermediate For The Synthesis Of The Angiotensin Ii Antagonist Losartan
  作者:Griffiths,Gareth J.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1999 卷标:64(22) 页码:8084-8089]
  
  154147-42-9 = 83857-96-9
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Toluene; 10 °C; 10 °C -> 100 °C; 100 °C; 2 H,100 - 105 °C1.2 30 Min,Ph 1 - 2,Cooled
  标题:Novel Syntheses Of 2-Butyl-5-Chloro-1H-Imidazole-4-Carboxaldehyde
  作者:Jiang,Jun-Rong; Et Al
  参考文献:Shandong Huagong 日期:2013 卷标:42(11) 页码:5-6]
  
  68282-49-5 = 83857-96-9
  反应条件:1.1 Reagents: Chlorosuccinimide Catalysts: Sodium Bicarbonate Solvents: 2-Methoxyethanol,1,4-Dioxane
  标题:Preparation Of 2-Alkyl-4-Halogeno-5-Formylimidazoles As Intermediates For Pharmaceuticals
  参考文献:Japan]
  
  50790-93-7 = 83857-96-9 [标题:Reaction Conditions
  标题:A Convenient Synthesis Of 2-Butyl-4(5)-Chloro-1H-Imidazole-5(4)-Carboxaldehyde
  作者:Watson,Stephen P.
  参考文献:Synthetic Communications 日期:1992 卷标:22(20) 页码:2971-7

海关参考信息

• 2912110000-甲醛
  2901100000-饱和无环烃
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