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

该化合物是一种反芬甲三甲醇衍生物,具有广泛频谱的活动,可以对抗各种真菌病原体,包括皮肤素和酵母. 它的主要优点包括:在治疗系统和表面的细科,高温药理和有利的安全配置方面,它具有很高的功效. 当它与其他抗微生物剂结合使用时,它也会有效.

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

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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
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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
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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
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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

(S,R)-2-(2,4-Difluorophenyl)-1,3-Bis-(1H-1,2,4-Triazol-1-yl)-2,3-Epoxypropane置于sodium Hydroxide,二异丁基氢化铝体系中,用二氯甲烷作为反应溶剂,化学反应生成氟康唑
参考文献:Process For The Manufacture Of Bis-Triazole Compounds And Intermediates
标题:Process For The Manufacture Of Bis-Triazole Compounds And Intermediates
摘要:本发明涉及一种制备式(i)化合物的过程,其中y和z可以相同或不同,且表示卤素.式(i)的双三唑化合物和中间体具有抗真菌活性.

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

专利号:US-12383499-B2
优先权日:2018-01-01
标题:Scale up synthesis of silicasome nanocarriers
发明人：NEL ANDRE E; MENG HUAN; LIU XIANGSHENG
权利人:UNIV CALIFORNIA
摘要:In order to facilitate the approval and commercialization of silicasome drug delivery systems (e.g. irinotecan silicasomes) it is necessary to scale up synthesis of the drug-loaded silicasomes. In this regard, it was discovered that the synthesis protocols used for laboratory synthesis of drug-loaded silicasomes (e.g., 500 mg/batch) do not scale to large scale silicasome production, because the resulting products were too heterogeneous for use as pharmaceuticals. Accordingly, new methods are provided herein that effectively afford the large-scale production of mesoporous silica nanoparticles (MSNPs) and lipid bilayer coated MSNPs (silicasomes).

专利号:US-10925977-B2
优先权日:2006-10-05
标题 :Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications
发明人：YANG DAVID J; YU DONGFANG; THOMPSON ANDREW S
权利人:YANG DAVID J; YU DONGFANG; THOMPSON ANDREW S; CEIL POINT LLC; UNIV TEXAS
摘要:Novel methods of synthesis of chelator-targeting ligand conjugates, compositions comprising such conjugates, and therapeutic and diagnostic applications of such conjugates are disclosed. The compositions include chelator-targeting ligand conjugates optionally chelated to one or more metal ions. Methods of synthesizing these compositions in high purity are also presented. Also disclosed are methods of imaging, treating and diagnosing disease in a subject using these novel compositions, such as methods of imaging a tumor within a subject and methods of diagnosing myocardial ischemia.

专利号:US-10308663-B2
优先权日:2015-06-16
标题:Inhibitors of PTP4A3 for the treatment of cancer
发明人：LAZO JOHN S; SHARLOW ELIZABETH R; MCQUEENEY KELLEY E; WIPF PETER; SALAMOUN JOSEPH M
权利人:LAZO JOHN S; SHARLOW ELIZABETH R; MCQUEENEY KELLEY E; WIPF PETER; SALAMOUN JOSEPH M; UNIV VIRGINIA PATENT FOUNDATION; UNIV OF PITTSBURGH â€”OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION
摘要:The invention provides protein tyrosine phosphatase inhibitor compounds, Their pharmaceutical compositions, uses, and methods of use, such as in the treatment of various cancers, and process for making the compounds. Also disclosed is an improved synthesis of protein tyrosine phosphatase inhibitor and precursor compound thienopyridone (5).

专利号:US-9464108-B2
优先权日:2012-03-15
标题:Combined synthesis route for desogestrel and etonogestrel
发明人：OSTENDORF MARTIN
权利人:MSD OSS BV; MERCK SHARP & DOHME
摘要:The present invention relates to a synthesis route and to steroid derivatives of general formula VI and VII useful in the synthesis of desogestrel and etonogestrel.

专利号:US-8742013-B2
优先权日:2009-04-24
标题:Synthesis of lipoamide-grafted high molecular compound and method therefor
发明人：NOH INSUP; JO SEONGYEUN; KIM DOYEON; WOO JUNGHOON
权利人:NOH INSUP; JO SEONGYEUN; KIM DOYEON; WOO JUNGHOON; NAT UNIV SEOUL TECH CTENTER
摘要:The present disclosure provides polymer compounds binding with lipoamide produced by the reaction of the primary amine group of lipoamide with the carboxy group of polysaccharide compounds such as chondroitin sulfates, carboxymethyl celluloses, or hyaluronic acids; functional compounds such as peptides, proteins, growth factors; or drugs; or biocompatible polymers such as poly(ethylene oxide), poly(vinyl alcohol), or poly(vinyl pyrrolidone). The present disclosure also provides their synthesis methods, products of hydrogels and films using the same as and methods for manufacturing the products.

专利号:US-8557979-B2
优先权日:2004-06-10
标题 :Carbapenem antibacterials with gram-negative activity and processes for their preparation
发明人：CHOI WOO-BAEG; KOWALIK EWA
权利人:CHOI WOO-BAEG; KOWALIK EWA; FOB SYNTHESIS INC
摘要:The present invention provides Î²-methyl carbapenem compounds and pharmaceutical compositions useful in the treatment of bacterial infections and methods for treating such infections using such compounds and/or compositions. The invention includes administering an effective amount of a carbapenem compound or salt and/or prodrug thereof to a host in need of such a treatment. The present invention is also in the field of synthetic organic chemistry and is specifically provides an improved method of synthesis of Î²-methyl carbapenems which are useful as antibacterial agents.

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