CAS: 888504-28-7; Potassium 5-Methyl-1,3,4-Oxadiazole-2-Carboxylate

• 英文名称Potassium 5-Methyl-1,3,4-Oxadiazole-2-Carboxylate
• 中文名称5-甲基-1,3,4-噁二唑-2-羧酸钾
• IUPAC名称potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate
• 其它别名5-甲基-1,3,4-恶二唑-2-甲酸钾; 5-Methyl-1,3,4-Oxadiazole-2-Carboxylic Acid Potassium Salt
• CAS编号888504-28-7
• MFCD编号:MFCD08060085
• EINECS号:618-215-9
• FDA UNII编号:JQQ7289UK3
• 分子式:C4H3KN2O3
• 分子量:166.18
• 产品CID: 1908982
• 产品分类有机原料→分子砌块→芳杂环类化合物→噁二唑类化合物

• 相似结构搜索
• InChIKey: BRHMYHXNUGVBCU-UHFFFAOYSA-M
• InChI=1S/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1…
• 计算化学: 氢键受体数5.0氢键供体数0.0可旋转键数1.0

相似化合物

物理性质

• 熔点258.3 °C
• PSA:79.05
• LogP:-4.25448
• 溶解性Water
• 外观形态类白色固体
• 储存条件惰性气氛,存放于冰箱中, -20°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS07;
  注释: Health hazard & Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2A
  生殖毒性 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述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.
  H361 |怀疑对生育能力或胎儿造成损害.
• 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Xi
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 4076-36-2 + 4755-77-5 = 888504-28-7
  反应条件:1.1 Reagents: Triethylamine Solvents: Toluene; 0 °C; 1 H,0 °C1.2 Solvents: Toluene; 90 Min,50 °C; 50 °C -> 65 °C; 1 H,65 °C1.3 Reagents: Potassium Hydroxide Solvents: Ethanol; 10 °C; 10 °C -> Rt; 40 Min,Rt; Rt -> 0 °C; 30 Min,0 °C
  标题:Hydroxyl May Not Be Indispensable For Raltegravir: Design,Synthesis And Sar Studies Of Raltegravir Derivatives As Hiv-1 Inhibitors
  作者:Wang,Ziwen; Wang,Mingxiao; Yao,Xue; Li,Yue; Qiao,Wentao; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2012 卷标:50 页码:361-369]
  
  37641-36-4 = 888504-28-7
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol; Rt
  标题:Process For Preparation Of 5-Methyl-1,3,4-Oxadiazole-2-Carboxylic Acid Potassium Salt
  作者:Anonymous
  参考文献:Ip.Com Journal 日期:2014 卷标:14 页码:1-2]
  
  4076-36-2 + 4755-77-5 = 888504-28-7
  反应条件:1.1 Reagents: Triethylamine Solvents: Toluene; < 5 °C; 1 H,0 - 5 °C1.2 Solvents: Toluene; 40 - 50 Min,50 °C; 1 H,70 °C1.3 Reagents: Potassium Hydroxide Solvents: Ethanol,Water; 30 Min,10 °C; 40 Min,Rt
  标题:Development Of A Second-Generation,Highly Efficient Manufacturing Route For The Hiv Integrase Inhibitor Raltegravir Potassium
  作者:Humphrey,Guy R.; Pye,Philip J.; Zhong,Yong-Li; Angelaud,Remy; Askin,David; Et Al
  参考文献:Organic Process Research & Development 日期:2011 卷标:15(1) 页码:73-83]
  
  4076-36-2 + 4755-77-5 = 888504-28-7
  反应条件:1.1 Reagents: Triethylamine Solvents: Toluene; 0 °C; 1 H,0 °C; 1 H,65 °C1.2 Reagents: Potassium Hydroxide Solvents: Ethanol,Water; 0 °C; 30 Min,Rt
  标题:Improved Synthesis Of Raltegravir
  作者:Guo,Diliang; Liu,Guannan; Li,Jian; Zhou,Yu; Xu,Jinyi; Et Al
  参考文献:Zhongguo Yaoke Daxue Xuebao 日期:2009 卷标:40(4) 页码:297-301]
  
  37641-36-4 = 888504-28-7
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol,Water; 25 °C -> 5 °C; 60 - 90 Min,5 - 10 °C; 10 °C -> 25 °C; 1 H,20 - 25 °C
  标题:Processes For Preparing Intermediates Of N-(2-(4-(4-Fluorobenzylcarbamoyl)-5-Hydroxy-1-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)Propan-2-Yl)-5-Methyl-1,3,4-Oxadiazole-2-Carboxamide Potassium Salt
  作者:Anonymous
  参考文献:Ip.Com Journal 日期:2014 卷标:14 页码:1-4]
  
  518048-06-1 = 888504-28-7
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol,Water; 60 - 90 Min,5 - 10 °C; 10 °C -> 25 °C; 1 H,20 - 25 °C
  标题:Crystalline Forms Of N-(2-(4-(4-Fluorobenzylcarbamoyl)-5-Hydroxy-1-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)Propan-2-Yl)-5-Methyl-1,3,4-Oxadiazole-2-Carboxamide Intermediates
  作者:Anonymous
  参考文献:Ip.Com Journal 日期:2014 卷标:14 页码:1-6]
  
  = 888504-28-7
  反应条件:1.1 -1.2 Reagents: Potassium Hydroxide Solvents: Ethanol
  标题:Identification,Synthesis,And Strategy For Minimization Of Potential Impurities Observed In Raltegravir Potassium Drug Substance
  作者:Patil,Gulabrao D.; Kshirsagar,Siddheshwar W.; Shinde,Shivnath B.; Patil,Pankaj S.; Deshpande,Mangesh S.; Et Al
  参考文献:Organic Process Research & Development 日期:2012 卷标:16(8) 页码:1422-1429

海关参考信息

• 2905110000-甲醇
  2912110000-甲醛
  2915110000-甲酸
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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