CAS: 931-53-3; Cyclohexylisocyanide

该化合物是一种多用途有机化合物,其特征是附于环己环的异丙氰化物功能组(-NC),由于其很强的捐助者特性,通常用作协调化学的离子体,促进过渡金属综合体的稳定,该化合物的发育和电子特性使其在催化应用中具有价值,包括不对称合成和聚合.此外,其在诸如Ugi反应等多成分反应中的再活性强调了其在构建复杂的热循环框架方面的效用.由于对湿度和空气的敏感性,该化合物通常在惰性条件下处理,其纯性和稳定性对于合成和工业过程中的再生效果至关重要.

英文名称Cyclohexylisocyanide
中文名称异氰环已烷
IUPAC名称isocyanocyclohexane
其它别名Cyclohexane, Isocyano-; Cyclohexaneisonitrile; Isocyanocyclohexane; Cyclohexyl Isocyanide; Cyclohexyl Isonitrile; Cyclohexyl #niso-Cyanide
CAS编号931-53-3
MFCD编号:MFCD00003839
EINECS号:213-238-7
FDA UNII编号:N7L87QP9YG
分子式:C7H11N
分子量:109.17
产品CID: 2500784
产品分类有机原料 → 烃类化合物及其衍生物 → 环烃

相似结构搜索
InChIKey: XYZMOVWWVXBHDP-UHFFFAOYSA-N
InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数0.0

MSDS等安全信息

GHS象形图
GHS符号GHS06;
注释: Skull and crossbones
危险类别急性毒性类别3(吸入)
急性毒性类别3(经皮)
急性毒性类别3(经口)
急性毒性类别2(吸入)
皮肤腐蚀/刺激类别2
严重眼刺激类别2
警示词Danger(危险)
危险描述H331 |吸入会中毒.
H311 |皮肤接触会中毒.
H301 |吞咽会中毒.
H330 |吸入致命.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P261-P264-P280-P301+P310-P302+P352+P312-P304+P340+P311
危险等级6.1
UN编号UN 2810 6.1/PG 2
危险品标志Xn,T
包装等级III
安全声明36/37-45-24/25
危险类别码20/21/22-23/24/25
WGK Germany3

欧盟法规

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

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Triethylamine,Diphosgene Solvents: Dichloromethane; 0 °C -> Rt
标题:Trichloromethyl Chloroformate
作者:Kurita,Keisuke
参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001 卷标:1 页码:1-3]

1122-82-3 = 931-53-3
反应条件:1.1 Reagents: Ethanolamine (Reaction Products With Merrifield Resin And Bis(Diethylamino)Phenylphosphine),Potassium Carbonate,Divinylbenzene-Styrene Copolymer (Chloromethylated,Reaction Products With Aminoethanol And Bis(Diethylamino)Phenylphosphine) Solvents: Dimethylformamide; 2 D,80 °C1.2 Reagents: Bis(Diethylamino)Phenylphosphine (Reaction Products With Aminated Merrifield Resin) Solvents: Toluene; 10 H,115 °C1.3 Solvents: Toluene; 45 Min,140 °C
标题:A Polymer-Supported [1,3,2]Oxazaphospholidine For The Conversion Of Isothiocyanates To Isocyanides And Their Subsequent Use In An Ugi Reaction
作者:Ley,Steven V.; Taylor,Stephen J.
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2002 卷标:12(14) 页码:1813-1816]

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Triethylamine,Phosphorus Oxychloride Solvents: Chloroform; 25 °C
标题:Isocyanide Chemistry Enabled By Continuous Flow Technology
作者:Cerra,Bruno; Blondeau,Cecile; Cannalire,Rolando; Giustiniano,Mariateresa; Tali Shandiz,Shiva; Et Al
参考文献:Reaction Chemistry & Engineering 日期:2023 卷标:8(3) 页码:656-660]

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Triethylamine,Phosphorus Oxychloride Solvents: Chloroform; 20 Min,100 Psi,25 °C
标题:Isocyanide Chemistry Enabled By Continuous Flow Technology
作者:Cerra,Bruno; Blondeau,Cecile; Cannalire,Rolando; Giustignano,Mariateresa; Shandiz,Shiva Tali; Et Al
参考文献:Chemrxiv 日期:2022 卷标:1 页码:1-5]

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Cyanuric Chloride,Potassium Carbonate Solvents: Acetone
标题:A New Synthesis Of Isonitriles
作者:Wittmann,R.
参考文献:Angewandte Chemie 日期:1961 卷标:73 页码:219-20]

20635-13-6 = 931-53-3
反应条件:1.1 Reagents: Diisopropylcarbodiimide Solvents: Diethyl Ether
标题:Carbodiimides. Iv. Elimination Of Hydrogen Sulfide With Acylated Carbodiimides
作者:Hartke,Klaus
参考文献:Chemische Berichte 日期:1966 卷标:99(10) 页码:3163-72]

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Pyridine,Phosphorus Oxychloride; 30 - 40 Min,Cooled; 20 - 30 Min,Reflux1.2 Reagents: Water; 0 - 5 °C
标题:Synthesis Of Novel Carbamoyl-Substituted Derivatives Of Isoindole And Benzo[f][1,4]Oxazepine Using A Modified Ugi Reaction
作者:Ilyn,A. P.; Parchinsky,V. Z.; Peregudova,Yu. N.; Trifilenkov,A. C.; Kravchenko,D. V.; Et Al
参考文献:Izvestiya Vysshikh Uchebnykh Zavedenii 日期:2006 卷标:49(5) 页码:13-19]

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Triethylamine,1H-Imidazolium,2-Chloro-4,5-Dihydro-1,3-Dimethyl-,Chloride (1:1) Solvents: Dichloromethane
标题:2-Chloro-1,3-Dimethylimidazolinium Chloride. 1. A Powerful Dehydrating Equivalent To Dcc
作者:Isobe,Toshio; Ishikawa,Tsutomu
参考文献:Journal Of Organic Chemistry 日期:1999 卷标:64(19) 页码:6984-6988]

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Pyridine,Phosphorus Oxychloride; 30 - 40 Min,0 - 5 °C; 10 Min,Reflux
标题:Cyclohexyl Isocyanide
作者:Ugi,Ivar; Meyr,Rudolf; Lipinski,Martin; Bodesheim,Ferdinand; Rosendahl,Friedrich
参考文献:Organic Syntheses 日期:1961 卷标:41 页码:13-15]

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Tosyl Chloride,Pyridine Solvents: Dimethyl Carbonate; Cooled; 18 H,Rt; Rt -> 0 °C1.2 Reagents: Sodium Carbonate Solvents: Water; 30 Min,Rt
标题:A More Sustainable And Highly Practicable Synthesis Of Aliphatic Isocyanides
作者:Waibel,K. A.; Nickisch,R.; Moehl,N.; Seim,R.; Meier,M. A. R.
参考文献:Green Chemistry 日期:2020 卷标:22(3) 页码:933-941]

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Tosyl Chloride,Sodium Bicarbonate Solvents: Water,Poly(Oxy-1,2-Ethanediyl),α-[4-[[3,4-Dihydro-2,5,7,8-Tetramethyl-2-(4,8,12-Trime...; 16 H,Rt
标题:In-Water Synthesis Of Isocyanides Under Micellar Conditions
作者:Brunelli,Francesca; Aprile,Silvio; Russo,Camilla; Giustiniano,Mariateresa; Tron,Gian Cesare
参考文献:Green Chemistry 日期:2022 卷标:24(18) 页码:7022-7028]

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Diisopropylethylamine,Phosphorus Oxychloride Solvents: Toluene; 6 Min,Rt1.2 Solvents: Water; 0.6 Min,Rt
标题:Odorless Isocyanide Chemistry: An Integrated Microfluidic System For A Multistep Reaction Sequence
作者:Sharma,Siddharth; Maurya,Ram Awatar; Min,Kyoung-Ik; Jeong,Guan-Young; Kim,Dong-Pyo
参考文献:Angewandte Chemie 日期:2013 卷标:52(29) 页码:7564-7568]

109-94-4 = 931-53-3
反应条件:1.1 Reagents: Triethylamine; 4 H,80 °C1.2 Reagents: Phosphorus Oxychloride Solvents: Dichloromethane; 2 H,0 °C
标题:An Evaluation Of Credentials Of A Multicomponent Reaction For The Synthesis Of Isothioureas Through The Use Of A Holistic Chem21 Green Metrics Toolkit
作者:Abou-Shehada,S.; Mampuys,P.; Maes,B. U. W.; Clark,J. H.; Summerton,L.
参考文献:Green Chemistry 日期:2017 卷标:19(1) 页码:249-258]

2666-80-0 = 931-53-3
反应条件:1.1 Reagents: Lithium Perchlorate Solvents: Dimethylformamide
标题:Electrochemical Generation Of Alkyl And Aryl Isocyanides
作者:Guirado,Antonio; Zapata,Andres; Gomez,Jesus L.; Trabalon,Luis; Galvez,Jesus
参考文献:Tetrahedron 日期:1999 卷标:55(31) 页码:9631-9640]

2666-80-0 = 931-53-3
反应条件:1.1 Reagents: Lithium Perchlorate Solvents: Dimethylformamide
标题:Electrochemical Reduction Of Carbonimidoyl Dichlorides. A New Method For The Preparation Of Isocyanides
作者:Guirado,Antonio; Zapata,Andres; Fenor,Manuel
参考文献:Tetrahedron Letters 日期:1992 卷标:33(33) 页码:4779-82]

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Ethanaminium,N,N-Diethyl-N-[[(Methoxycarbonyl)Amino]Sulfonyl]-,Inner Salt Solvents: Dichloromethane
标题:Dehydration Of Formamides Using The Burgess Reagent: A New Route To Isocyanides
作者:Creedon,Siobhan M.; Crowley,H. Kevin; Mccarthy,Daniel G.
参考文献:Journal Of The Chemical Society 日期:1998 卷标:(6) 页码:1015-1018]

= 931-53-3
反应条件:1.1 0 °C; Overnight,0 °C -> Reflux1.2 Reagents: Triethylamine,Phosphorus Oxychloride Solvents: Dichloromethane; 20 Min,Rt; 1 H,0 °C; 2 H,Rt
标题:Highly Stereoselective Ugi/pictet-Spengler Sequence
作者:Zhang,Bidong; Kurpiewska,Katarzyna; Doemling,Alexander
参考文献:Journal Of Organic Chemistry 日期:2022 卷标:87(11) 页码:7085-7096]

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Triethylamine,1H-Imidazolium,2-Chloro-4,5-Dihydro-1,3-Dimethyl-,Chloride (1:1) Solvents: Dichloromethane
标题:Preparation Of Isocyanides
参考文献:Japan]

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Diisopropylamine,Phosphorus Oxychloride Solvents: Dichloromethane; 0 °C; 5 Min,0 °C
标题:Facile Reaction Of Carboxylic Acids With Isonitriles In Toluene
作者:Polisar,Jason G.; Li,Ling; Norton,Jack R.
参考文献:Tetrahedron Letters 日期:2011 卷标:52(23) 页码:2933-2934]

766-93-8 = 931-53-3
反应条件:1.1 Reagents: Pyridine,Phosphorus Oxychloride Solvents: Pyridine; Cooled; 5 H,Reflux
标题:Synthesis Of 4-Methyl-1,2,3-Thiadiazole Derivatives Via Ugi Reaction And Their Biological Activities
作者:Zuo,Xiang; Mi,Na; Fan,Zhi-Jin; Zheng,Qing-Xiang; Zhang,Hai-Ke; Et Al
参考文献:Journal Of Agricultural And Food Chemistry 日期:2010 卷标:58(5) 页码:2755-2762

环己酮置于甲酸,三光气,三乙胺体系中,用二氯甲烷作为反应溶剂,化学反应 2.67H,反应生成异氰环已烷
参考文献:Efficient Isocyanide-Less Isocyanide-Based Multicomponent Reactions
标题:Efficient Isocyanide-Less Isocyanide-Based Multicomponent Reactions
摘要:Isocyanides Are The "Jekyll And Hyde" Of Organic Chemistry Allowing For Extremely Interesting Transformations That Are Not Only Extremely Odorous But Also Noxious. Therefore,An Isocyanide-Less Isocyanide-Based Multicomponent Reaction (Imcr) Has Been Developed,And This Protocol Is Expected To Replace Many Of The Old Procedures In The Future Not Only In Imcr But In Other Areas Of Organic Chemistry As Well.
DOI:10.1021/acs.Orglett.5B00759

专利信息

专利号:US-5817751-A
优先权日:1994-06-23
标题 :Method for synthesis of diketopiperazine and diketomorpholine derivatives
发明人：SZARDENINGS ANNA KATRIN; CAMPBELL DAVID
权利人:AFFYMAX TECH NV
摘要:The present invention relates to the areas of organic and medicinal chemistry. More specifically, the present invention is concerned with combinatorial and solid phase methods for the synthesis of diverse diketopiperazine derivatives, and the use of such methods to create libraries of diverse diketopiperazine derivatives. The present invention has application in the areas of chemical synthesis, the screening for new diketopiperazine derivatives having beneficial medical properties and the use of such screening to provide compositions and methods including diketopiperazine derivatives for treating disease.

专利号:US-6376649-B1
优先权日:1998-12-18
标题 :Methods for the synthesis of Î±- hydroxy-Î²-amino acid and amide derivatives
发明人：SEMPLE JOSEPH E; LEVY ODILE E
权利人:CORVAS INT INC
摘要:Methods for the synthesis of alpha-hydroxy-beta-amino acid and amide derivatives and alpha-ketoamide derivatives and novel derivatives made by these methods are provided. These methods involve reacting a N-terminally blocked (protected) aminoaldehyde with an isonitrile and a carboxylic acid to give an amino-alpha-acyloxy carboxamide. The acyloxy group may be removed to give the derivative. Alternatively the protecting group is removed and acyl shift occurs to give the derivative. These derivatives are useful in the synthesis of compounds such as peptidyl alpha-ketoamides and alpha-hydroxy-beta-carboxylic acid and amide derivatives. Certain of these compounds have been reported to have activity as inhibitors of proteases, such as serine proteases and cysteine proteases.

专利号:US-2002019013-A1
优先权日:1999-03-08
标题:Combined resin method for high-speed synthesis of combinatorial libraries
发明人：LOU BOLIANG; GHARBAOUI TAWFIK
摘要:A method for high-speed parallel synthesis of combinatorial libraries is disclosed where two or more resins of dissimilar functionality are combined in the same reaction vessel in which a plurality of chemical reactions are carried out to create multiple compounds which are then sequentially and individually cleaved from the different resins under the appropriate cleavage conditions for each resin. As used herein resins are considered different when they exhibit different chemical activity in the presence of cleaving or releasing agents. The resins are different when the individual resins have either dissimilar polymeric backbones or dissimilar linkers or both and thus have a different chemical activity in the presence of a release or cleaving agent from the other resins in the reaction vessel.

专利号:US-10801022-B2
优先权日:2015-04-14
标题:Method for solid-phase synthesis of DNA encoded compound library
发明人：LI JIN; Wan jinqiao; LIU GUANSAI; DOU DENGFENG
权利人:HITGEN LTD; HITGEN INC
摘要:The present invention provides a method of solid-phase synthesis of DNA-encoded compound library. The method includes following steps: a) reacting solid carrier G-1 with linker molecule L-1 to prepare L-G-1; b) reacting DNA with linker molecule L-0 to prepare L-2; c) reacting L-G-1 with L-2 to prepare L-G-2; d) removing protection group of the L-G-2 and obtaining L-G-2-1; e) reacting the L-G-2-1 with synthetic building block and performing DNA encoding; and f) removing the solid carrier and obtaining the DNA-encoded compound library. Compared with the prior art, the present invention can complete post-treatment purification of the reaction only by filtration and irrigation processes for several times. The present invention is simple to operate, can shorten the production cycle of DNA encoded compound library with more than 50%, significantly increases the production efficiency and the unicity as well as the purity of the final products.

专利号:WO-0056721-A1
优先权日:1999-03-23
标题 :Solid phase synthesis of benzodiazepine diones
发明人：DENER JEFFREY MARK
权利人:AXYS PHARM INC; DENER JEFFREY MARK
摘要:The present invention provides a process for the synthesis of a compound or an array of compounds of formula (I). Compounds of formula (I) generally represent the therapeutically important class of compounds namely diversely substituted benzodiazepine diones.

专利号:US-6600016-B1
优先权日:1999-08-24
标题:Multifunctionalized solid support resins for synthesis of combinatorial libraries and method for using the same
发明人：CAMPIAN EUGENE; LU BOLIANG; ZHANG JINFANG
权利人:ADVANCED SYNTECH LLC
摘要:Multifunctionalized support resin for the solid phase synthesis of combinatorial libraries is disclosed. The support resin comprises a resin backbone to which is attached a template containing at least two more attachment points which carry mutiple functionalized benzyl-type linkers. Each linker displays differing chemical stability under cleavage conditions so that products can be selectively and sequentially cleaved and separated from the reaction vessel. The linkers are independently different benzyl-type moieties, and each product synthesized on the linkers may have a different chemical structure. The support resin may further comprise an additional linker which is directly attached to the resin backbone. This linker can benzyl-type linkers or other traditional cleavable-linkers. The invention is further directed to a method for the production of mutiple combinatorial libraries in a simultaneous fashion utilizing the above described support resin. The products are selectively cleaved under conditions where only one linker site is cleaved so that the product is individually separated from the reaction vessel.

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合成参考文献

参考文献:10.1007/s11030-010-9228-7
摘要:Baghernejad B, Heravi MM, Oskooie HA, Poormohammad N, Khorshidi M, Beheshtiha YSh. A novel and facile synthesis of N-cyclohexyl-benzofurans by one-pot three-component reaction. Mol Divers. 2011 Feb;15(1):245–8. doi: 10.1007/s11030-010-9228-7.