CAS: 827-15-6; Iodopentafluorobenzene

该化合物是一种有机氟化物化合物,其特点是有5个氟原子和1个碘原子,附于苯环,其分子式为C6F5I,表明一种高度替代的芳香结构,该化合物一般无色可粉黄黄色液体或固态,取决于温度和纯度;五氟化二苯并苯由于具有很强的C-F联系而具有相当大的化学稳定性,使其有抗氧化和水解的能力;众所周知,该物质在有机合成中具有效用,特别是在准备各种氟化化合物和作为交叉反应的试剂方面;氟化和碘原子的存在具有独特的再活动性,允许选择性地发挥功能;此外,五氟化二苯在材料科学和医药化学中具有应用性,其中氟化化合物往往表现出更强的生物活动,并具有更好的物理特性;然而,由于其含氟性质,必须谨慎地处理这一化合物,因为它可能对环境和健康造成风险.

英文名称Iodopentafluorobenzene
中文名称五氟碘苯
IUPAC名称1,2,3,4,5-pentafluoro-6-iodobenzene
其它别名2,3,4,5,6-五氟碘苯; Iodopentafluorobenzene (Stabilized With Copper Chip)
CAS编号827-15-6
MFCD编号:MFCD00001032
EINECS号:212-565-2
FDA UNII编号:6FL842U9F2
分子式:C6F5I
分子量:293.96
产品CID: 1817260
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
产品信息参考
InChIKey: OPYHNLNYCRZOGY-UHFFFAOYSA-N
InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9…
计算化学: 氢键受体数0.0氢键供体数0.0可旋转键数0.0

物理性质

熔点-29 °C
沸点166.7°C at 760 mmHg
闪点61.3°C
密度1.1±0.1 g/cm3
PSA:0.0
LogP:2.9867
折射率1.472
蒸汽压2.33 mmHg at 25 °C
溶解性Insoluble In Water.
敏感性光敏感
外观形态透明无色液体
储存条件在惰性气体(氮气或氩气)下 2–8 °C
产品应用该化合物用于确定通过红外辐射光谱仪在卤代全氟溶剂中发生磷化腐蚀产生的单氧寿命,在等离子体加工业和催化剂的准备中具有潜在用途.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别皮肤腐蚀/刺激类别2
严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
警示词Warning(警告)
危险描述H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
防范说明P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
危险等级IRRITANT
UN编号NONH for all modes of transport
危险品标志Xi
安全声明26-37/39-24/25
危险类别码36/37/38
WGK Germany3

欧盟法规

ECHA物质ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

合成目标产物 Iodopentafluorobenzene 主要起始原料 Pentafluorobenzene
121850-39-3 + 16973-45-8 = 827-15-6
反应条件:1.1 Reagents: Tetramethylammonium Iodide Solvents: Acetonitrile
标题:Reactions Of Pentafluorophenylxenon(Ii) Hexafluoroarsenate [c6F5Xe]+ [asf6]- With Halide Anions In Acetonitrile
作者:Frohn,H. J.; Et Al
参考文献:Journal Of Fluorine Chemistry 日期:1995 卷标:70(2) 页码:147-54]

51-92-3 = 827-15-6
反应条件:1.1 Reagents: Iodine Cyanide Solvents: Diglyme
标题:Preparation,Nmr Spectra And Reactivity Of Pentafluorophenyltetrafluorosilicates M+ [c6F5Sif4]-
作者:Frohn,H. J.; Et Al
参考文献:Journal Of Organometallic Chemistry 日期:1995 卷标:501(1-2) 页码:155-9]

121850-39-3 + 124302-50-7 = 827-15-6
反应条件:1.1 Reagents: Iodide Solvents: Acetonitrile
标题:The Pentafluorophenylxenon(Ii) Cation: [c6F5Xe]+; The First Stable System With A Xenon-Carbon Bond
作者:Frohn,Hermann J.; Et Al
参考文献:Journal Of The Chemical Society 日期:1989 卷标:(10) 页码:625-7]

= 827-15-6
反应条件:1.1 Reagents: Potassium Fluoride
标题:Aromatic Fluoro Derivatives. Lxxxvi. Direct Addition Of Pentavalent Iodine To Fluoro-Containing Benzenes. Generation Of Pentafluorophenyltrifluoroiodonium Cation
作者:Bardin,V. V.; Et Al
参考文献:Zhurnal Organicheskoi Khimii 日期:1980 卷标:16(6) 页码:1256-63]

1109-15-5 = 827-15-6
反应条件:1.1 Reagents: Dichloromethane,Xenon Difluoride2.1 Reagents: Iodide Solvents: Acetonitrile
标题:The Pentafluorophenylxenon(Ii) Cation: [c6F5Xe]+; The First Stable System With A Xenon-Carbon Bond
作者:Frohn,Hermann J.; Et Al
参考文献:Journal Of The Chemical Society 日期:1989 卷标:(10) 页码:625-7]

= 827-15-6
反应条件:1.1 Reagents: Nitronium Tetrafluoroborate Solvents: Acetonitrile2.1 Solvents: Acetonitrile3.1 Reagents: Iodine Cyanide Solvents: Diglyme
标题:Preparation,Nmr Spectra And Reactivity Of Pentafluorophenyltetrafluorosilicates M+ [c6F5Sif4]-
作者:Frohn,H. J.; Et Al
参考文献:Journal Of Organometallic Chemistry 日期:1995 卷标:501(1-2) 页码:155-9]

363-72-4 = 827-15-6
反应条件:1.1 Reagents: Perfluorobutyl Iodide,Sodium Tert-Butoxide Solvents: Dimethylformamide; 3 Min,Rt1.2 Reagents: Water; Rt
标题:T-Buona-Mediated Direct C-H Halogenation Of Electron-Deficient (Hetero)Arenes
作者:Liu,Xia; Et Al
参考文献:Organic & Biomolecular Chemistry 日期:2018 卷标:16(6) 页码:886-890]

363-72-4 = 827-15-6
反应条件:1.1 Reagents: 2167248-94-2 Solvents: Benzene; 16 H,Rt1.2 Reagents: Iodine; 1 H,Rt1.3 Reagents: Sodium Thiosulfate Solvents: Water; Rt
标题:Utilising Sodium-Mediated Ferration For Regioselective Functionalisation Of Fluoroarenes Via C-H And C-F Bond Activations
作者:Maddock,Lewis C. H.; Et Al
参考文献:Angewandte Chemie 日期:2018 卷标:57(1) 页码:187-191]

602-94-8 = 827-15-6
反应条件:1.1 Reagents: Iodine,Tripotassium Phosphate Solvents: Acetonitrile; 16 H,100 °C; 100 °C -> Rt1.2 Reagents: Fluorobenzene,Sodium Persulfate Solvents: Chloroform-D,Water; Rt
标题:Transition-Metal-Free Decarboxylative Iodination: New Routes For Decarboxylative Oxidative Cross-Couplings
作者:Perry,Gregory J. P.; Et Al
参考文献:Journal Of The American Chemical Society 日期:2017 卷标:139(33) 页码:11527-11536]

66080-22-6 = 827-15-6
反应条件:1.1 Reagents: Iodine
标题:Organolanthanoids. Iv. Some Reactions Of Bis(Polyfluorophenyl)Ytterbium Compounds
作者:Deacon,Glen B.; Et Al
参考文献:Australian Journal Of Chemistry 日期:1983 卷标:36(1) 页码:43-53]

392-56-3 = 827-15-6
反应条件:1.1 Reagents: Ethylmagnesium Bromide Catalysts: Iron(Iii) Acetylacetonate Solvents: Tetrahydrofuran; 60 Min,-30 °C; 30 Min,-30 °C1.2 Reagents: Iodine Solvents: Tetrahydrofuran; 30 Min,-30 °C; Overnight,Rt1.3 Reagents: Sodium Thiosulfate,Ammonium Chloride Solvents: Water
标题:One-Pot Route To X-Perfluoroarenes (X = Br,I) Based On Feiii-Assisted C-F Functionalization And Utilization Of These Arenes As Building Blocks For Crystal Engineering Involving Halogen Bonding
作者:Rozhkov,Anton V.; Et Al
参考文献:Crystal Growth & Design 日期:2020 卷标:20(9) 页码:5908-5921]

1206-46-8 = 827-15-6
反应条件:1.1 Reagents: Iodine,18-Crown-6 Catalysts: Potassium Fluoride Solvents: Acetonitrile
标题:Reaction Of Trimethyl(Pentafluorophenyl)Silane With Electrophiles In The Presence Of Fluoride Ions
作者:Bardin,V. V.; Et Al
参考文献:Zhurnal Obshchei Khimii 日期:1988 卷标:58(4) 页码:812-15]

34422-57-6 = 827-15-6
反应条件:1.1 Reagents: Iodine Chloride Solvents: Acetonitrile
标题:Pentavalent Perfluoroorganobismuth Compounds
作者:Tyrra,W.; Et Al
参考文献:Canadian Journal Of Chemistry 日期:1989 卷标:67(11) 页码:1949-51]

373-68-2 + 5272-26-4 = 827-15-6
反应条件:1.1 Solvents: Acetonitrile2.1 Reagents: Iodine Cyanide Solvents: Diglyme
标题:Preparation,Nmr Spectra And Reactivity Of Pentafluorophenyltetrafluorosilicates M+ [c6F5Sif4]-
作者:Frohn,H. J.; Et Al
参考文献:Journal Of Organometallic Chemistry 日期:1995 卷标:501(1-2) 页码:155-9]

14353-88-9 + 5270-94-0 = 827-15-6
反应条件:1.1 Catalysts: Tris(2,2′-Bipyridine)Ruthenium(2+) Bis(Hexafluorophosphate) Solvents: Acetonitrile; 20 H,35 °C
标题:Visible-Light Photoredox Decarboxylation Of Perfluoroarene Iodine(Iii) Trifluoroacetates For C-H Trifluoromethylation Of (Hetero)Arenes
作者:Yang,Bin; Et Al
参考文献:Acs Catalysis 日期:2018 卷标:8(4) 页码:2839-2843]

= 827-15-6 + 363-72-4
反应条件:1.1 Reagents: Iodine Solvents: Dichloromethane; 2 H,20 °C
标题:Polyfluoroorganoboron-Oxygen Compounds. 4. Lithium Pentafluorophenyltrimethoxyborate,Li[c6F5B(Ome)3],Reactions With Selected Electrophiles And Nucleophiles
作者:Adonin,Nicolay Yu.; Et Al
参考文献:Zeitschrift Fuer Anorganische Und Allgemeine Chemie 日期:2005 卷标:631(13-14) 页码:2638-2646]

= 827-15-6 + 434-90-2
反应条件:1.1 Reagents: Iodine Solvents: Tetrahydrofuran; 16 H,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water; Rt
标题:Building Square Planar Cobalt(Ii) Complexes Via Sodium Mediated Cobaltation Of Fluoroarenes
作者:Logallo,Alessandra; Et Al
参考文献:Angewandte Chemie 日期:2022 卷标:61(49)

五氟苯置于全氟碘代丁烷,Sodium T-Butanolate体系中,用 N,N-二甲基甲酰胺作为反应溶剂,化学反应 0.05H,以99%的收率获得产物2,3,4,5,6-五氟碘苯
参考文献:T-Buona介导的缺电子(杂)芳烃的直接c-h卤化†
标题:T-Buona介导的缺电子(杂)芳烃的直接c-h卤化†
摘要:描述了电子缺陷(杂)芳烃的有效卤化.该反应利用普通的t-Buona作为催化剂(用于碘化)或促进剂(用于溴化和氯化),并使用全氟丁基碘化物,Cbr 4或ccl 4作为容易获得的卤化剂.该协议具有范围广,效率高,条件温和和克扩展性强的特点.提出了涉及卤素键形成和嗜盐攻击的离子途径.在可见光介导的c芳基-c芳基交叉偶联反应中证明了所得碘化杂芳烃的效用.
DOI:10.1039/c7Ob03081A

专利信息

专利号:WO-9847910-A1
优先权日:1997-04-21
标题:Method for solution phase synthesis of oligonucleotides
发明人：PIEKEN WOLFGANG; MCGEE DANNY; SETTLE ALECIA; ZHAI YANSHENG; HUANG JIANPING; HILL KEN; SMITH RANDALL S
权利人:NEXSTAR PHARMACEUTICALS INC; PIEKEN WOLFGANG; MCGEE DANNY; SETTLE ALECIA; ZHAI YANSHENG; HUANG JIANPING; HILL KEN; SMITH RANDALL S
摘要:This invention discloses an improved method for the sequential solution phase synthesis of oligonucleotides. The method lends itself to automation and is ideally suited for large scale manufacture oligonucleotides with high efficiency.

专利号:US-7858809-B2
优先权日:2004-04-12
标题 :Process for production of pyrazole-fused ring derivatives
发明人：NEGI SHIGETO; SHIMIZU TOSHIKAZU; KURODA HIROSHI; SHIMOMURA NAOYUKI; SASHO MANABU; HOSHINO YORIHISA; KUBOTO MANABU
权利人:EISAI R&D MAN CO LTD
摘要:Intermediates useful for the synthesis of pyrazole-fused ring derivatives, such as 7-phenylpyrazolo [1,5-a]pyridine derivatives, and method for producing the same. Method for producing compound represented by the general formula (II), wherein Z 1 and Z 2 each independently represents a methine group or a nitrogen atom; R l represents an ethyl group or the like; R 5 represents a hydrogen atom or the like; R 2 and R 3 each independently represents a C 1-6 alkyl group or the like, salts thereof, or solvates of both, comprising the step of: reacting a compound represented by the general formula (I), wherein Z 1 , Z 2 , R 5 , R 1 , R 2 and R 3 each has the same definition as described above, with an organometallic reagent; and then reacting the resulting product with pentafluoroiodobenzene.

专利号:US-9617251-B2
优先权日:2015-08-07
标题:Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof
发明人：ECKHARDT MATTHIAS; PETERS STEFAN; WAGNER HOLGER
权利人:BOEHRINGER INGELHEIM INT
摘要:The present invention relates to compounds of general formula I, n nwherein the groups R, R 1 , R 2 , R 3 , m and n are defined as in claim 1 , which have valuable pharmacological properties, in particular bind to the GPR40 receptor and modulate its activity. The compounds are suitable for treatment and prevention of diseases which can be influenced by this receptor, such as metabolic diseases, in particular diabetes type 2. Furthermore, the invention relates to novel intermediates, useful for the synthesis of compounds of formula I.

专利号:WO-2017148416-A1
优先权日:2016-03-03
标题 :Method for preparing maytansine esters and intermediate thereof
发明人：XIANG SHAOYUN; YANG HONGYU; ZHU HUAPING; MA XINGQUAN
权利人:XDCEXPLORER (SHANGHAI) CO LTD
摘要:Disclosed are a method for preparing maytansine esters as shown by formula (I) and an intermediate thereof. The method comprises a step of carrying out an interesterification reaction of compound (Ia) and RCOOR' in the presence of an organic solvent and a base to obtain the compound. The preparation method is mild in reaction conditions, easy in terms of synthesis and post-treatment steps, and high in reaction conversion and yield. Racemization phenomenon is not observed during the reaction, the product purity is high, the production cost is low, and the preparation method is suitable for industrial production. Reaction (1)

专利号:CN-109422729-B
优先权日:2017-08-27
标题:A class of chiral azapolycyclic alkaloids and synthesis method thereof

专利号:CN-109422730-A
优先权日:2017-08-27
标题 :A class of non-natural amino acid derivatives containing azetidine skeleton and synthesis method thereof

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合成参考文献

摘要:Inoue, S.; Driess, M., Science of Synthesis Knowledge Updates, (2012) 4, 234.
摘要:von Angerer, S., Science of Synthesis Knowledge Updates, (2011) 1, 340.
摘要:Zhdankin, V. V., Science of Synthesis Knowledge Updates, (2015) 1, 240.
参考文献:10.1107/s1600536810026772
摘要:Zhang C, Zhang H, Dai D, Liang J. 1-[(2,3,4,5,6-Penta-fluoro-phen-yl)ethyn-yl]ferrocene. Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 10;66(Pt 8):m914.
参考文献:10.1021/ja036994l
摘要:Nguyen HL, Horton PN, Hursthouse MB, Legon AC, Bruce DW. Halogen bonding: a new interaction for liquid crystal formation. J Am Chem Soc. 2004 Jan 14;126(1):16–7. doi: 10.1021/ja036994l.