CAS: 873-73-4; 1-Chloro-4-Ethynylbenzene

该化合物是一种卤化丙烯化合物,广泛用作有机合成的多功能构件,其主要优点包括反应终端烷基和氯代苯环,能够进行多种变异,如Sonogashira联产,点击化学和循环添加反应.电排氯替代组增强交叉组合应用的再活动,同时在标准条件下保持稳定.该化合物在制药中间体,材料科学和农用化学研究中特别有用,因为它能够将苯和乙炔功能引入目标分子,通常看起来无色可变成清黄色,分子重量为136.58克/摩尔,需要在惰性条件下储存,以防止聚合.

结构式图片

物理性质

MSDS等安全信息

欧盟法规

ECHA物质C&L通报

上下游产品

CAS号78704-49-1 (4-氯苯炔基)三甲基硅烷 | CAS号637-87-6 对氯碘苯 | CAS号471-25-0 丙炔酸 | CAS号1066-54-2 三甲基硅基乙炔 | CAS号24653-99-4 2,3-二溴-3-(4-氯苯基)丙酸 | CAS号106-39-8 对氯溴苯 | CAS号37614-57-6 3-(4-氯苯基)-2-丙炔-1-醇 | CAS号77295-59-1 1-chloro-4-(2,2... | CAS号104-88-1 对氯苯甲醛 | CAS号90965-06-3 (1-重氮基-2-氧代丙基)膦酸二甲酯 | CAS号111787-84-9 ETHYL 5-(4-CHLO... | CAS号5468-66-6 2-对氯苄基苯并咪唑 | CAS号37614-57-6 3-(4-氯苯基)-2-丙炔-1-醇 | CAS号38922-74-6 2-(4-Chlorophen... | CAS号33491-02-0 1-chloro-2-(4-c... | CAS号5157-57-3 2,2-Dichloro-1-... | CAS号39561-82-5 2-(4-氯苯基)-2-氧代乙酸乙酯 | CAS号99-91-2 对氯苯乙酮 | CAS号84553-28-6 cis-1,2-Dichlor... | CAS号937-20-2 4-氯苯酰甲基氯

合成工艺路线路线简述

  • 77295-59-1 = 873-73-4
    反应条件:1.1 Reagents: 1-Butanaminium,N,N,N-Tributyl-,Fluoride,Hydrate (1:1:3) Solvents: Acetonitrile; 100 °C
    标题:Regioselective Fluorination Of 1-(2,2-Dibromovinyl)Benzene Derivatives With Wet Tetra-N-Butylammonium Fluoride: One-Pot Synthesis Of (Z)-1-(2-Bromo-1-Fluorovinyl)Benzenes
    作者:Zhao,Mingzhu; Ming,Ling; Tang,Jialiang; Zhao,Xiaoming
    参考文献:Organic Letters 日期:2016 卷标:18(3) 页码:416-419]

    104-88-1 + 90965-06-3 = 873-73-4
    反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 4 - 16 H,Rt
    标题:(1-Diazo-2-Oxopropyl)-Phosphonic Acid Dimethyl Ester
    作者:Gandon,Vincent; Aubert,Corinne
    参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2008 卷标:1 页码:1-5]

    75373-70-5 = 873-73-4
    反应条件:1.1 Reagents: Potassium Hydroxide Solvents: 1,4-Dioxane; 30 Min,60 °C
    标题:Synthesis Of Terminal Alkynes/diynes Through Deprotection Of Acetone Protected Alkynes Under Mild Conditions
    作者:Guan,Zhipeng; Shi,Yao; Shi,Wei; Chen,Hao
    参考文献:Youji Huaxue 日期:2017 卷标:37(2) 页码:418-422]

    66482-29-9 = 873-73-4
    反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: 18-Crown-6 Solvents: Cyclopentane; 0 °C; 30 Min,0 °C; 30 Min,Rt; 1 H,40 °C
    标题:Expedient Iodocyclization Approach Toward Polysubstituted 3H-Benzo[e]Indoles
    作者:Martins,Guilherme M.; Zeni,Gilson; Back,Davi F.; Kaufman,Teodoro S.; Silveira,Claudio C.
    参考文献:Advanced Synthesis & Catalysis 日期:2015 卷标:357(14-15) 页码:3255-3261]

    75373-70-5 = 873-73-4
    反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Toluene; 24 H,65 °C
    标题:Design,Synthesis,Antileishmanial,And Antifungal Biological Evaluation Of Novel 3,5-Disubstituted Isoxazole Compounds Based On 5-Nitrofuran Scaffolds
    作者:Trefzger,Ozildeia S.; Barbosa,Natalia V.; Scapolatempo,Renata L.; Das Neves,Amarith R.; Ortale,Maria L. F. S.; Et Al
    参考文献:Archiv Der Pharmazie (Weinheim 日期:2020 卷标:353(2)]

    4202-14-6 + 104-88-1 = 873-73-4
    反应条件:1.1 Reagents: Potassium Carbonate,Imidazole-1-Sulfonyl Azide Hydrochloride Solvents: Acetonitrile; 2 H,25 °C1.2 Solvents: Methanol; 15 H,25 °C
    标题:In Situ Generation Of The Ohira-Bestmann Reagent From Stable Sulfonyl Azide: Scalable Synthesis Of Alkynes From Aldehydes
    作者:Jepsen,Tue Heesgaard; Kristensen,Jesper Langgaard
    参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(19) 页码:9423-9426]

    104-88-1 + 90965-06-3 = 873-73-4
    反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 8 H,Rt
    标题:Further Improvements Of The Synthesis Of Alkynes From Aldehydes
    作者:Roth,Gerald J.; Liepold,Bernd; Mueller,Stephan G.; Bestmann,Hans Juergen
    参考文献:Synthesis 日期:2004 卷标:(1) 页码:59-62]

    104-88-1 + 90965-06-3 = 873-73-4
    反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 20 °C1.2 Reagents: Sodium Chloride Solvents: Ethyl Acetate,Water; Rt
    标题:Tandem Claisen Rearrangement/6-Endo Cyclization Approach To Allylated And Prenylated Chromones
    作者:Schmidt,Bernd; Riemer,Martin; Schilde,Uwe
    参考文献:European Journal Of Organic Chemistry 日期:2015 卷标:2015(34) 页码:7602-7611]

    31357-32-1 = 873-73-4
    反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethyl Sulfoxide; 12 H,115 °C
    标题:Convenient Synthesis Of Terminal Alkynes From Anti-3-Aryl-2,3-Dibromopropanoic Acids Using A K2Co3/dmso System
    作者:Cheng,Xuezhi; Jia,Jun; Kuang,Chunxiang
    参考文献:Chinese Journal Of Chemistry 日期:2011 卷标:29(11) 页码:2350-2354]

    31357-32-1 = 873-73-4
    反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; 1.0 Min1.2 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene; 1.0 Min
    标题:Synthesis Of (Z)-1-Bromo-1-Alkenes And Terminal Alkynes From Anti-2,3-Dibromoalkanoic Acids By Microwave-Induced Reaction
    作者:Kuang,Chunxiang; Yang,Qing; Senboku,Hisanori; Tokuda,Masao
    参考文献:Tetrahedron 日期:2005 卷标:61(16) 页码:4043-4052]

    31357-32-1 = 873-73-4
    反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; 1 Min; Rt1.2 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene; 1 Min1.3 Solvents: Diethyl Ether,Water
    标题:A One-Pot Synthesis Of Terminal Alkynes From Anti-3-Aryl-2,3-Dibromopropanoic Acids Under Microwave Irradiation
    作者:Kuang,Chunxiang; Senboku,Hisanori; Tokuda,Masao
    参考文献:Chemistry Letters 日期:2005 卷标:34(1) 页码:28-29]

    77295-59-1 = 873-73-4
    反应条件:1.1 Reagents: Tetrabutylammonium Fluoride,Triphenylphosphine Solvents: Tetrahydrofuran,Water; 3 H,80 °C
    标题:An Efficient Method For The Production Of Terminal Alkynes From 1,1-Dibromo-1-Alkenes And Its Application In The Total Synthesis Of Natural Product Dihydroxerulin
    作者:Liu,Shihui; Chen,Xiaobei; Hu,Yanwei; Yuan,Laiqi; Chen,Shaohua; Et Al
    参考文献:Advanced Synthesis & Catalysis 日期:2015 卷标:357(2-3) 页码:553-560]

    78704-49-1 = 873-73-4
    反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 3 H,25 °C
    标题:A Facile Synthesis Of Terminal Arylacetylenes Via Sonogashira Coupling Reactions Catalyzed By Mcm-41-Supported Mercapto Palladium(0) Complex
    作者:Xu,Ya Ping; Hu,Rong Hua; Cai,Ming Zhong
    参考文献:Chinese Chemical Letters 日期:2008 卷标:19(7) 页码:783-787]

    78704-49-1 = 873-73-4
    反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 3 H,25 °C
    标题:A Novel And Efficient Synthesis Of Terminal Arylacetylenes Via Sonogashira Coupling Reactions Catalyzed By Mcm-41-Supported Bidentate Phosphine Palladium(0) Complex
    作者:Wang,Yue; Huang,Bin; Sheng,Shouri; Cai,Mingzhong
    参考文献:Journal Of Chemical Research 日期:2007 卷标:(12) 页码:728-732
(+/-)-2-(4-Chlorophenyl)-2-(Trimethylsiloxy)-Acetonitrile置于叠氮基三甲基硅烷,二正丁基氧化锡,柠檬酸,N,N'-二异丙基碳二亚胺体系中,用 甲醇,二氯甲烷,甲苯 作为反应溶剂,化学反应 43.0H,反应生成 4-氯苯乙炔
参考文献:α-羟基-四唑作为潜在的乙炔基部分:机理研究.
标题:α-羟基-四唑作为潜在的乙炔基部分:机理研究.
摘要:本文着重于α-羟基四唑的脱水,导致四氮杂富烯,然后再通过fritsch-buttenberg-wiechell重排而重排成乙炔基的乙烯基卡宾.通过检查底物和/或脱水剂的范围,或通过am1计算,仔细检查该序列的每个步骤,以了解该方法的限制步骤.这种低估的转化似乎是用于将醛转化为炔烃的现有方法的可行替代方案.
DOI:10.1002/ejoc.201800143

海关参考信息

专利信息


专利号:US-10829792-B2
优先权日:2017-03-21
标 题 :Biocatalytic synthesis of strained carbocycles
发明人：CHEN KAI; HUANG XIONGYI; KAN S B JENNIFER
权利人:CALIFORNIA INST OF TECHN
摘要:Provided herein are methods for producing products containing strained carbocycles, such as cyclopropene moieties and/or bicyclobutane moieties. The methods include combining an alkyne and a carbene precursor in the presence of a heme protein, e.g., a cytochrome P450, under conditions sufficient to form the strained carbocycle. Reaction mixtures for producing strained carbocycles are also described, as well as whole-cell catalysts comprising heme proteins and variants thereof for forming cyclopropenes, bicyclobutanes, and related products.

专利号:US-7109377-B2
优先权日:1996-10-16
标 题:Synthesis of combinatorial libraries of compounds reminiscent of natural products
发明人：SCHREIBER STUART L; SHAIR MATTHEW D; TAN DEREK S; FOLEY MICHAEL A; STOCKWELL BRENT R
权利人:HARVARD COLLEGE
摘要:The present invention provides complex compounds reminiscent of natural products and libraries thereof, as well as methods for their production. The inventive compounds and libraries of compounds are reminiscent of natural products in that they contain one or more stereocenters, and a high density and diversity of functionality. In general, the inventive libraries are synthesized from diversifiable scaffold structures, which are synthesized from readily available or easily synthesizable template structures. In certain embodiments, the inventive compounds and libraries are generated from diversifiable scaffolds synthesized from a shikimic acid based epoxyol template. In other embodiments, the inventive compounds and libraries are generated from diversifiable scaffolds synthesized from the pyridine-based template isonicotinamide. The present invention also provides a novel ortho-nitrobenzyl photolinker and a method for its synthesis. Furthermore, the present invention provides methods and kits for determining one or more biological activities of members of the inventive libraries. Additionally, the present invention provides pharmaceutical compositions containing one or more library members.

专利号:US-11033889-B2
优先权日:2018-10-23
标 题:Palladium acyclic diaminocarbene complexes as precatalysts for Hiyama coupling and the tandem one-pot fluoride free Hiyama coupling/cyclization for the synthesis of biologically relevant
发明人：SINGH CHANDAN; GHOSH PRASENJIT
权利人:INDIAN INST TECHNOLOGY BOMBAY
摘要:The present invention provides Acyclic diaminocarbene complex of formula (I):Wherein,M is palladium;X is monoanionic ligand selected from Cl, Br or I;Where R1 is different from R2;R1 is selected from the group consisting of alkyl or aryl, each of which have 4 to 20 carbon atoms, and may optionally contain one or more heteroatoms;R2 is selected from the group consisting of alkyl, or aryl each of which have 4 to 20 carbon atoms, and may optionally contain one or more heteroatoms. The said palladium diamino carbine complex of the present invention are particularly useful as catalyst from Hiyama cross-coupling reaction.

专利号:US-2022048879-A1
优先权日:2020-08-13
标 题:Synthesis of small molecules inspired by Phomoxanthone A
发明人：ALI RAMEEZ; MATTSON ANITA
权利人:WORCESTER POLYTECH INST
摘要:Methods, compositions, and kits are provided for synthesizing bioactive chromane, the method including: constructing a tertiary ether stereocenter enantioselectively by catalyzed alkynylation of a substituted chromenone to obtain a chromanone; reducing alkyne and ketone in the chromanone to obtain a chroman; and converting ester to methyl group thereby obtaining chromane.

专利号:US-2003082830-A1
优先权日:1996-10-16
标 题:Synthesis of combinatorial libraries of compounds reminiscent of natural products

专利号:US-5977394-A
优先权日:1998-03-13
标题:Silyl thioalkene compound and method for the preparation thereof
发明人：HAN LI-BIAO; TANAKA MASATO
权利人:AGENCY IND SCIENCE TECHN
摘要:Disclosed is a silyl thioalkene compound, as a class of organosilicon compounds, represented by the general formula n n R(--CSArâ•?CHSiX.sub.3).sub.n, n n in which the subscript n is 1 or 2, R is, when n is 1, a hydrogen atom or unsubstituted or substituted monovalent hydrocarbon group or, when n is 2, a divalent hydrocarbon group, Ar is an unsubstituted or nucleus-substituted aromatic monovalent aromatic hydrocarbon group and X is a halogen atom, a monovalent hydrocarbon group or hydrocarbyloxy group, having usefulness as an intermediate in the synthesis of various precision organic chemicals. The compound, of which X is a halogen atom X 1 , can be prepared, for example, by the reaction of an alkyne compound of the general formula n n R(--C.tbd.CH).sub.n, n n with a silyl sulfide compound of the general formula n n ArS--SiX.sup.1.sub.3, n n in the presence of a platinum complex catalyst. The compound, of which X is a monovalent hydrocarbon group or a hydrocarbyloxy group, can be derived from the above obtained halogen-containing compoud.

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主要参考文献

参考标题:Diversity Oriented Clicking (Doc): Divergent Synthesis Of Sufexable Pharmacophores From 2‐substituted‐alkynyl‐1‐sulfonyl Fluoride (Sasf) Hubs
作者:Christopher J. Smedley,Gencheng Li,Andrew S. Barrow,Timothy L. Gialelis,Marie‐claire Giel,Alessandra Ottonello,Yunfei Cheng,Seiya Kitamura,Dennis W. Wolan,K. Barry Sharpless,John E. Moses |发布日期:2020.7.20
摘要:Diversity Oriented Clicking (Doc) Is A Unified Click‐approach For The Modular Synthesis Of Lead‐like Structures Through Application Of The Wide Family Of Click Transformations. Doc Evolved From The Concept Of Achieving "Diversity With Ease" , By Combining Classic C−c π‐bond Click Chemistry With Recent Developments In Connective Sufex‐technologies. We Showcase 2‐substituted‐alkynyl‐1‐sulfonyl Fluorides

合成参考文献


摘要:Sankararaman, S., Science of Synthesis, (2008) 43, 437.
摘要:Abou-Hadeed, K.; Hansen, H.-J., Science of Synthesis, (2010) 45, 346.
摘要:Masuda, T.; Shiotsuki, M.; Sanda, F., Science of Synthesis, (2010) 45, 1423.
摘要:Sankararaman, S., Science of Synthesis, (2008) 43, 456.
摘要:Negishi, E.; Wang, G., Science of Synthesis, (2010) 47, 1003.
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