CAS: 86386-73-4; 2-(2,4-Difluorophenyl)-1,3-Di(1H-1,2,4-Triazol-1-yl)Propan-2-Ol

• 英文名称2-(2,4-Difluorophenyl)-1,3-Di(1H-1,2,4-Triazol-1-yl)Propan-2-Ol
• 中文名称氟康唑
• IUPAC名称2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
• 其它别名alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol; 2,4-Difluoro-alpha,alpha1-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol; Diflucan; Triflucan
• CAS编号86386-73-4
• MFCD编号:MFCD00274549
• EINECS号:627-806-0
• FDA UNII编号:8VZV102JFY
• 分子式:C13H12F2N6O
• 分子量:306.27
• 产品CID: 1865210
• 产品分类原料药 → 人工合成抗感染类药 → 抗真菌类药

• 相似结构搜索
• 产品信息参考;;
• InChIKey: RFHAOTPXVQNOHP-UHFFFAOYSA-N
• InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2…
• 计算化学: 氢键受体数7.0氢键供体数1.0可旋转键数5.0

物理性质

• 熔点138-140 °C
• 沸点579.8±60.0 °C at 760 mmHg
• 闪点304.4±32.9 °C
• 密度1.5±0.1 g/cm3
• pKa:pKa 1.76±0.1(H2O t=24 I=0.1(NaCl)) (Uncertain)
• PSA:81.65
• LogP:0.5
• 折射率1.663
• 蒸汽压0.0±1.7 mmHg at 25°C
• 溶解性DMSO: 5 mg/mL
• 敏感性按规定使用和贮存的不会分解，避氧化物
• 外观形态白色至类白色固体
• 储存条件2-8°C
• 产品应用美国辉瑞公司上市的新一代抗真菌药物,对白色含球与隐球菌具有较高的抗菌活性.
• 性质描述熔点138-140°C.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS07;
  注释: Health hazard & Exclamation mark
• 危险类别生殖毒性 类别1B
  急性毒性 类别4(经口)
  STOT SE 2
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  水生慢性毒性 类别3
  特定目标器官毒性 - 单次接触 类别3
  特定目标器官毒性-重复接触 类别2
  生殖毒性 类别1A
  生殖毒性 类别2
  水生慢性毒性 类别2
  急性毒性 类别4(吸入)
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 危险描述H360 |可能损害生育能力或胎儿.
  H302 |吞咽有害.
  H371 |可能损害器官.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H412 |对水生生物有害并具有长期持续影响.
  H335 |可能引起呼吸道刺激.
  H336 |可能引起嗜睡或头晕.
  H373 |长期或反复接触可能损害器官.
  H361 |怀疑对生育能力或胎儿造成损害.
  H411 |对水生生物有毒并具有长期持续影响.
  H332 |吸入有害.
  H360D |可能对胎儿造成损害.
• 防范说明P201-P202-P264-P273-P301+P312-P308+P313
• UN编号UN1230 - class 3 - PG 2 - Methanol, solution
• 危险品标志Xn,Xi,T,F
• 安全声明26-36-36/37/39-24/25-45-36/37-16-7
• 危险类别码22-36/37/38-20/21/22-39/23/24/25-23/24/25-11
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 150168-54-0 = 86386-73-4
  反应条件:1.1 Reagents: Sodium Nitrite,Hydrochloric Acid Solvents: Water
  标题:Preparation Of Fluconazole
  参考文献:Canada]
  
  86386-76-7 + 288-88-0 = 86386-73-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Ethanol; 24 H,80 °C
  标题:Visible-Light-Induced Regioselective Radical Oxo-Amination Of Alkenes With O2 As The Oxygen Source
  作者:Wang,Jiayang; Et Al
  参考文献:Organic Letters 日期:2023 卷标:25(28) 页码:5333-5338]
  
  288-88-0 + 86386-74-5 = 86386-73-4
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 1 H,Reflux1.2 Solvents: Dimethylformamide; 16 H,Reflux
  标题:An Improved Method For The Addition Reactions Of 1,3-Dichloroacetone With Combined Organolithium-Cerium Trichloride Reagents
  作者:Chen,Same-Ting; Et Al
  参考文献:Journal Of The Chinese Chemical Society (Taipei 日期:2003 卷标:50(4) 页码:927-930]
  
  86386-73-4 + 75-75-2 = 86386-73-4
  反应条件:1.1 Reagents: 4-Amino-1,2,4-Triazole Solvents: Isopropanol1.2 Reagents: Sodium Nitrite,Hydrochloric Acid Solvents: Water
  标题:Process For The Preparation Of Antimycotic 1,3-Bis(1,2,4-Triazol-1-Yl)Propan-2-Ol Derivatives From Aminotriazole And Triazolylmethyl-Substituted Oxiranes.
  参考文献:European Patent Organization]
  
  5034-06-0 + 288-88-0 + 51336-94-8 = 86386-73-4
  反应条件:1.1 Solvents: N-Methyl-2-Pyrrolidone; 48 Min,Rt -> 130 °C1.2 Reagents: Potassium Hydroxide Solvents: Water; 48 Min,130 °C -> 110 °C
  标题:Fully Automated Chemical Synthesis: Toward The Universal Synthesizer
  作者:Collins,Nathan; Et Al
  参考文献:Organic Process Research & Development 日期:2020 卷标:24(10) 页码:2064-2077]
  
  290-87-9 = 86386-73-4
  反应条件:1.1 Reagents: Formic Acid,Trifluoroacetic Acid Solvents: Acetonitrile
  标题:Process For Preparing Biologically Active Derivatives Of 1,2,4-Triazole,Particularly Fluconazole,And Intermediates Useful In This Process
  参考文献:World Intellectual Property Organization]
  
  1774-47-6 + 288-88-0 + 86404-63-9 = 86386-73-4
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide,Water; 3 H,90 °C1.2 Reagents: Sodium Carbonate; Rt -> 90 °C; 3 H,90 °C
  标题:Optimization And Study On The Synthesis Of Fluconazole
  作者:Wu,Chunli; Et Al
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2011 卷标:21(4) 页码:304-307]
  
  288-88-0 + 86386-74-5 = 86386-73-4
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Methanol,Water; 15 Min,Rt; Rt -> 60 °C1.2 4.5 H,60 °C
  标题:The Application Of A Continuous Grignard Reaction In The Preparation Of Fluconazole
  作者:Korwar,Sudha; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2017 卷标:2017(44) 页码:6495-6498]
  
  288-88-0 + 86386-74-5 = 86386-73-4
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Toluene; 3 H,90 °C
  标题:Synthesis And Crystal Structure Of [α-(2,4-Difluorophenyl)- α-(1H-1,2,4-Triazole-1-Ylmethyl)-1H-1,2,4-Triazole-1-Ethanol]Cu(Ii) Complex
  作者:Wang,Yongfen; Et Al
  参考文献:Asian Journal Of Chemistry 日期:2014 卷标:26(24) 页码:8593-8595]
  
  86386-76-7 + 288-88-0 + 75-75-2 = 86386-73-4
  反应条件:1.1 Reagents: Sodium Carbonate; 10 Min
  标题:Rapid Synthesis Of Some New Propanol Derivatives Analogous To Fluconazole Under Microwave Irradiation In A Solventless System
  作者:Heravi,Majid M.; Et Al
  参考文献:Heterocyclic Communications 日期:2005 卷标:11(1) 页码:19-22]
  
  288-88-0 + 534-07-6 + 348-57-2 = 86386-73-4 [标题:Reaction Conditions
  标题:Triazoles
  参考文献:United Kingdom]
  
  164347-62-0 + 288-88-0 = 86386-73-4
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 6 H,80 °C
  标题:Continuous Flow Synthesis Of Terminal Epoxides From Ketones Using In Situ Generated Bromomethyl Lithium
  作者:Von Keutz,Timo; Et Al
  参考文献:Organic Letters 日期:2019 卷标:21(24) 页码:10094-10098]
  
  1774-47-6 + 124213-98-5 + 86404-63-9 = 86386-73-4
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 3 - 4 H,Rt1.2 Reagents: Sodium Nitrite,Hydrochloric Acid Solvents: Water; 30 Min,0 - 5 °C1.3 Reagents: Hydrochloric Acid,Sodium Hypophosphite Solvents: Water; 2 H,Rt1.4 Reagents: Sodium Carbonate Solvents: Water; Neutralized
  标题:Study On The New Preparation Of Fluconazole
  作者:Wang,Jian-Xiang
  参考文献:Zhongguo Xiandai Yingyong Yaoxue 日期:2006 卷标:23(1) 页码:35-37]
  
  5034-06-0 + 288-88-0 + 51336-94-8 = 86386-73-4
  反应条件:1.1 Solvents: N-Methyl-2-Pyrrolidone; 97 Min,Rt -> 130 °C1.2 Reagents: Potassium Hydroxide Solvents: Water; 48 Min,Rt -> 110 °C
  标题:Multi-Step Continuous Flow Synthesis Of Fluconazole
  作者:Szeto,Judy; Et Al
  参考文献:Journal Of Flow Chemistry 日期:2019 卷标:9(1) 页码:35-42

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2905122000-异丙醇
  2906210000-苄醇
• 💡 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

专利信息

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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