2-氯甲基-1,4-二氧杂烷 | 21048-16-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 中文名称: 2-氯甲基-1,4-二氧杂烷
• 中文别名: 2-(氯甲基)-1,4-二氧六环
• 英文名称: 2-(chloromethyl)-1,4-dioxane
• 英文别名: 2-(chloromethyl)-p-dioxane；2-chloromethyl-1,4-dioxane；2-Chlormethyl-1,4-dioxan；2-Chlormethyldioxan；2-chloromethyl-dioxan
• CAS: 21048-16-8
• 化学式: C₅H₉ClO₂
• 分子量: 136.578
• InChiKey: SFABQWISNPPOOB-UHFFFAOYSA-N

物化性质

• 沸点：
  40 °C(Press: 0.02 Torr)
• 密度：
  1.2100 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-氯甲基-1,4-二氧杂烷 在 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 15.0h， 生成 1,4-dioxanylmethyl(methyl)diphenylphosphoniumiodid
  参考文献：
  名称：

  甲醇羰基化的新的基础化合物：XVII。二恶烷基甲基二有机基膦烷在甲醇（氢）羰基酮中的乙二醛和乙醛

  摘要：

  （醚膦）配体R 2 PCH 2（1,4-diox）（1a – c）（R = Ph（a），Mes（b），Cy（c）； diox =二恶烷残基）和Ph 2 PCH在醚中，在-40℃下分别从相应的磷化物LiPR 2和2-氯甲基-1，4-二恶烷和-1，3-二恶烷获得2（1，3-二恶烷）（2a）。高压实验可以提供有关甲醇（氢）羰基化反应的转化率和选择性的有用信息，前提是诸如离析物/催化剂比，配体1a – c，2a的取代基的作用等参数钴配合物的定向应用以及催化剂和合成气的组成各不相同。研究了甲醇将钴催化（氢）羰基化为乙醛和乙酸循环的可能性。

  DOI：

  10.1016/0022-328x(88)80439-x
• 作为产物：
  描述：

  3-(β-Chloroethoxy)-1,2-epoxypropane 在 sodium hydroxide 、 三氯化磷 作用下， 以 水 为溶剂， 反应 2.0h， 生成 2-氯甲基-1,4-二氧杂烷
  参考文献：
  名称：

  Tsivunin, V. S.; Zaripova, V. G.; Bikulova, V. Zh., Journal of Organic Chemistry USSR (English Translation), 1983, vol. 19, # 3, p. 580

  摘要：

  DOI：

文献信息

• Herbicidal composition containing dioxolane, dioxane, or dioxepane
  申请人：Magyar Tudomanvos Akademia Kozponti Kemiai Kutato Intezete Nitrokemia

  公开号：US05116402A1

  公开（公告）日：1992-05-26

  The invention relates to a herbicidal composition which contains, besides binding, wetting, dispersing, emulsifying agents, solvents and/or surface-active substances, herbicides as active agent of thiocarbamate, carbamate, acid amide or urea type alone or in a combination, furthermore as antidote a compound of the general formula I ##STR1## wherein R.sup.1 and R.sup.2, independently of each other, are hydrogen, C.sub.1-6 alkyl, C.sub.2-6 alkenyl, C.sub.1-4 cyanoalkyl, C.sub.1-6 haloalkyl, phenyl-C.sub.1-4 -haloalkyl, phenyl, halogenphenyl, C.sub.1-4 -alkyl-phenyl, C.sub.1-4 -alkoxyphenyl, furfuryl; R.sup.3 and R.sup.4, independently of each other, are hydrogen, C.sub.1-18 -alkyl, C.sub.2-4 -haloalkyl, C.sub.2-4 -cyanoalkyl, C.sub.1-4 -alkoxy-C.sub.2-4 -alkyl, C.sub.5-6 -cycloalkyl, phenyl-C.sub.1-4 -alkyl, C.sub.3-4 -alkenyl, phenyl-C.sub.3-4 -alkenyl, di-C.sub.1-4 -alkylamino-C.sub.2-4 -alkyl, hydroxy-C.sub.2-6 -alkyl, furfuryl, tetrahydrofurfuryl, C.sub.1-4 -alkoxy-C.sub.2-4 -alkoxy-C.sub.2-4 -alkyl; R.sup.3 and R.sup.4, together, are C.sub.2-4 -alkylene, C.sub.4 -alkenylene, glucofuranosylene, acetoxy-C.sub.3 -alkylene, C.sub.1-4 -alkoxy-C.sub.3 -alkylene, hydroxy-C.sub.3 -alkylene, halogen-C.sub.3 -alkylene; wherein the quantity of the antidote lies between 0.01 and 15 parts by weight referred to 1 part by weight of herbicidal agent, furthermore the composition contains altogether 0.1 to 95 percent by weight of the herbicidal agents and the antidote.

  该发明涉及一种除草剂组合物，除了包含粘结、润湿、分散、乳化剂、溶剂和/或表面活性物质之外，还包含硫代氨基甲酸酯、氨基甲酸酯、酸酰胺或尿素类活性剂作为活性剂，可以单独使用或组合使用，此外，作为解毒剂的一般式I的化合物如下：其中R.sup.1和R.sup.2，彼此独立，是氢、C.sub.1-6烷基、C.sub.2-6烯基、C.sub.1-4氰基烷基、C.sub.1-6卤代烷基、苯基-C.sub.1-4-卤代烷基、苯基、卤代苯基、C.sub.1-4-烷基苯基、C.sub.1-4-烷氧基苯基、呋喃甲基；R.sup.3和R.sup.4，彼此独立，是氢、C.sub.1-18-烷基、C.sub.2-4-卤代烷基、C.sub.2-4-氰基烷基、C.sub.1-4-烷氧基-C.sub.2-4-烷基、C.sub.5-6-环烷基、苯基-C.sub.1-4-烷基、C.sub.3-4-烯基、苯基-C.sub.3-4-烯基、二-C.sub.1-4-烷基氨基-C.sub.2-4-烷基、羟基-C.sub.2-6-烷基、呋喃基、四氢呋喃基、C.sub.1-4-烷氧基-C.sub.2-4-烷氧基-C.sub.2-4-烷基；R.sup.3和R.sup.4，一起，是C.sub.2-4-烷基烯、C.sub.4-烯基、葡萄糖呋喃基、乙酸氧基-C.sub.3-烷基烯、C.sub.1-4-烷氧基-C.sub.3-烷基烯、羟基-C.sub.3-烷基烯、卤代-C.sub.3-烷基烯；解毒剂的量在除草剂的1份重量中介于0.01和15份重量之间，此外，该组合物总共含有0.1至95重量百分比的除草剂和解毒剂。
• Biphase Reduction of Heptanal and Cyclohexanone by Sodium Formate Catalyzed by Ether-Phosphine Ruthenium(II) Complexes
  作者：Stanislav Šabata、Jaroslav Včelák、Jiří Hetflejš

  DOI：10.1135/cccc19950127

  日期：——

  RuCl₂[P(C₆H₅)₂OCH₂CH₂OCH₃]₂ has efficiently catalyzed the reduction of cyclohexanone and heptanal by sodium formate in chlorobenzene-water, using cetylpyridinium bromide as the phase transfer catalyst. In both cases, the reduction was first order both in the substrate and in the initial concentration of the catalyst. The catalyst activity in the aldehyde reduction could be increased by the addition of the free ligand while in the ketone reduction the ligand in excess decreased the reaction rate. Several other phosphines of the type P(C₆H₅)₂L where L = C₆H₅, C₄H₉, C₂H₅OCH₂CH₂, C₄H₉OCH₂CH₂, 1,4-dioxanemethyl, tetrahydrofurfuryl, and P(i-C₃H₇)₃) gave the less efficient catalysts. Kinetic and activation data for the reduction of both substrates are reported.

  RuCl₂[P(C₆H₅)₂OCH₂CH₂OCH₃]₂在氯苯-水中有效催化了环己酮和庚醛的钠甲酸盐还原反应，使用十六烷基吡啶溴化物作为相转移催化剂。在两种情况下，还原反应在底物和催化剂的初始浓度上均为一级反应。醛类还原中，通过添加游离配体可以增加催化剂的活性，而在酮类还原中，过量的配体会降低反应速率。其他几种磷化物P(C₆H₅)₂L（其中L = C₆H₅、C₄H₉、C₂H₅OCH₂CH₂、C₄H₉OCH₂CH₂、1,4-二氧杂环庚基、四氢呋喃基和P(i-C₃H₇)₃）提供了效率较低的催化剂。报道了对两种底物还原的动力学和活化数据。
• [EN] DNA ALKYLATION AND CROSS-LINKING AGENTS AS COMPOUNDS AND PAYLOADS FOR TARGETED THERAPIES<br/>[FR] ALKYLATION D'ADN ET AGENTS DE RÉTICULATION COMME COMPOSÉS ET CHARGES UTILES POUR THÉRAPIES CIBLÉES
  申请人：UNIV YALE

  公开号：WO2017132459A1

  公开（公告）日：2017-08-03

  The present invention is directed to compounds related to precolibactin, pharmaceutical compositions based upon these compounds and methods of synthesis which are employed to provide intermediates and final compounds, which are principally alkylating agents and anticancer compounds. The chemical synthetic approach disclosed facilitates the synthesis of numerous precolibactin analogs which can be used in the treatment of cancer.

  本发明涉及与precolibactin相关的化合物，基于这些化合物的药物组合物以及用于提供中间体和最终化合物的合成方法，这些化合物主要是烷基化剂和抗癌化合物。所披露的化学合成方法有助于合成多种precolibactin类似物，可用于癌症治疗。
• [EN] NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS<br/>[FR] NOUVEAUX COMPOSÉS ET COMPOSITIONS PHARMACEUTIQUES ASSOCIÉES POUR LE TRAITEMENT DE LA FIBROSE
  申请人：GALAPAGOS NV

  公开号：WO2017148787A1

  公开（公告）日：2017-09-08

  The present invention discloses compounds according to Formula I, wherein R1a, R1b, R2a, R2b, R3, R4, R5, R6a, X, Cy1, Cy2, and the subscript n and m are as defined herein. The present invention relates to antagonists compounds of sphingosine 1-phosphate (SIP) receptor, methods for their production, pharmaceutical compositions comprising the same, and methods of treatment using the same, for the prophylaxis and/or treatment of diseases involving fibrotic diseases, inflammatory diseases, autoimmune diseases, metabolic diseases, cardiovascular diseases, and/or proliferative diseases by administering the compound of the invention.

  本发明揭示了根据式I的化合物，其中R1a、R1b、R2a、R2b、R3、R4、R5、R6a、X、Cy1、Cy2以及下标n和m如本文所定义。本发明涉及拮抗神经酰胺1-磷酸（SIP）受体的化合物，其生产方法，包括这些化合物的药物组合物，以及使用这些化合物进行预防和/或治疗涉及纤维病、炎症性疾病、自身免疫性疾病、代谢性疾病、心血管疾病和/或增生性疾病的方法，通过给予本发明的化合物。
• HETEROCYCLIC P2X7 ANTAGONISTS
  申请人：AXXAM S.p.A.

  公开号：EP3398941A1

  公开（公告）日：2018-11-07

  The present invention refers to compounds, and to pharmaceutical compositions containing said compounds, of the following formula (I) or a pharmaceutically acceptable salt thereof: including any stereochemically isomeric form thereof, wherein: R1 is independently selected from the group consisting of aliphatic, aromatic or heteroaromatic ring, optionally substituted by one or more substituents chosen from the group consisting of C1-C4 alkyl optionally substituted by one or more halogen atom(s), halogen, C1-C4 alkoxy; R2 is independently selected from the group consisting of aliphatic, heteroaliphatic, aromatic or heteroaromatic ring, bicyclic aliphatic, heteroaromatic or aromatic ring, C1-C6 alkyl, alkenyl or alkynyl chain, optionally substituted by one or more substituents chosen from the group consisting of C1-C4 alkyl optionally substituted by one or more halogen atom(s), halogen, C1-C4 alkoxy, cyano, C1-C4 alkylthio, SO-C1-C4 alkyl, SO2-C1-C4 alkyl, N(C1-C4 alkyl)2; n is 0, 1 or 2; R3 and R4 can be, independently, -H, -F, C1-C4 alkyl, -OH, -OC1-C4 alkyl; X is O, S, CH2, CH-C1-C4 alkyl, -NH or -NC1-C4 alkyl; R5 is -H or -CH3 optionally substituted by one or more fluorine atoms. The compounds of the invention can be used in treatment of conditions or diseases mediated by P2X7 receptor.

  本发明涉及化合物及含有所述化合物的药物组合物，其化学式为(I)或其药学上可接受的盐：包括其立体化异构体形式，其中：R1独立地选自由由脂肪烃、芳香烃或杂芳环组成的基团，可选择地被来自由由C1-C4烷基、可选择地被一个或多个卤原子取代的卤素、卤素、C1-C4烷氧基的一个或多个取代基替代；R2独立地选自由由脂肪烃、杂脂肪烃、芳香烃或杂芳环、双环脂肪烃、杂芳烃或芳香环、C1-C6烷基、烯基或炔基链组成的基团，可选择地被来自由由C1-C4烷基、可选择地被一个或多个卤原子取代的卤素、卤素、C1-C4烷氧基、氰基、C1-C4烷硫基、SO-C1-C4烷基、SO2-C1-C4烷基、N(C1-C4烷基)2的一个或多个取代基替代；n为0、1或2；R3和R4可以独立地为-H、-F、C1-C4烷基、-OH、-OC1-C4烷基；X为O、S、CH2、CH-C1-C4烷基、-NH或-NC1-C4烷基；R5为-H或-CH3，可选择地被一个或多个氟原子取代。本发明的化合物可用于治疗通过P2X7受体介导的疾病或症状。