5-chloropentyl 4-methylbenzenesulfonate | 92948-25-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-chloropentyl 4-methylbenzenesulfonate
• CAS: 92948-25-9
• 化学式: C₁₂H₁₇ClO₃S
• 分子量: 276.784
• InChiKey: IIZKMXYRMVEGOL-UHFFFAOYSA-N

物化性质

• 沸点：
  148-153 °C(Press: 0.14-0.23 Torr)
• 密度：
  1.196±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-chloropentyl 4-methylbenzenesulfonate 在 盐酸羟胺 、 sodium acetate 、 potassium carbonate 、 sodium iodide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 32.0h， 生成 1-(5-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)pentyl)-1H-imidazole-2-carbaldehyde oxime
  参考文献：
  名称：

  New efficient imidazolium aldoxime reactivators for nerve agent-inhibited acetylcholinesterase

  摘要：

  Herein, we described a new class of uncharged non-pyridinium reactivators for nerve agent-inhibited acetylcholinesterase (AChE). Based on a dual site binding strategy, we conjugated the imidazolium aldoxime to different peripheral site ligands (PSLs) of AChE through alkyl chains. Compared with the known quaternary pyridinium reactivators, two of the resulting conjugates (7g and 7h) were highlighted to be the first efficient non-pyridinium oxime conjugates exhibiting similar or superior ability to reactivate sarin-, VX- and tabun-inhibited AChE. Moreover, they were more broad-spectrum reactivators. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.10.055
• 作为产物：
  描述：

  四氢吡喃 、 对甲苯磺酰氯 在 zinc(II) chloride 作用下， 生成 5-chloropentyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  US2838505

  摘要：

  公开号：

文献信息

• N-substituted imidazole derivatives
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：EP0652217A1

  公开（公告）日：1995-05-10

  The N-substituted imidazole derivatives of the following formula (1) wherein A is X is -O-, -NHCO- or -NH-, 1 is an integer of 2 to 6; m is 0 or 1; n is 1 or 2;ring α, ring β and ring γ are independently unsubstituted or substituted by one or more substituents selected from the group consisting of a halogen atom, C₁ ~ C₃ alkyl, C₁ ~ C₃ alkoxy and cyano; or its pharmaceutically acceptable salt, or their hydrates, show excellent anti-hypertensive, anti-hyperlipemic and blood sugar lowering activity, and are useful as excellent antihypertensives, preventives or remedies for ischemic cardiac diseases such as angina, myocardial infarction, heart failure, arteriosclerosis, or as preventives or remedies for diabetes and complications thereof.

  以下是上述公式（1）中的N-取代咪唑衍生物的中文翻译： 其中A为 X为-O-，-NHCO-或-NH-，1为2到6的整数；m为0或1；n为1或2；环α，环β和环γ独立地未取代或被来自卤素原子、C₁〜C₃烷基、C₁〜C₃烷氧基和氰基的一个或多个取代基取代；或其药学上可接受的盐，或其水合物，表现出优异的抗高血压、抗高脂血症和降血糖活性，并且可用作优秀的降压药、缓解或治疗缺血性心脏疾病（如心绞痛、心肌梗死、心力衰竭、动脉硬化）的药物，或作为糖尿病及其并发症的预防或治疗药物。
• CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME
  申请人：Arvinas, Inc.

  公开号：US20180215731A1

  公开（公告）日：2018-08-02

  The description relates to cereblon E3 ligase binding compounds, including bifunctional compounds comprising the same, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present disclosure. In particular, the description provides compounds, which contain on one end a ligand which binds to the cereblon E3 ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. Compounds can be synthesized that exhibit a broad range of pharmacological activities consistent with the degradation/inhibition of targeted polypeptides of nearly any type.

  该描述涉及cereblon E3连接酶结合化合物，包括包含相同成分的双功能化合物，这些化合物作为靶向泛素化的调节剂具有实用价值，尤其是抑制剂，可降解和/或以其他方式抑制根据本公开的双功能化合物。特别是，该描述提供了化合物，其一端含有与cereblon E3泛素连接酶结合的配体，另一端含有与目标蛋白结合的部分，使目标蛋白位于泛素连接酶附近以降解（和抑制）该蛋白。可以合成表现出广泛药理活性的化合物，与几乎所有类型的靶向多肽的降解/抑制一致。
• Pheromone synthesis. Part 243: Synthesis and biological evaluation of (3R,13R,1′S)-1′-ethyl-2′-methylpropyl 3,13-dimethylpentadecanoate, the major component of the sex pheromone of Paulownia bagworm, Clania variegata, and its stereoisomers
  作者：Kenji Mori、Takuya Tashiro、Boguang Zhao、David M. Suckling、Ashraf M. El-Sayed

  DOI：10.1016/j.tet.2010.02.028

  日期：2010.4

  All of the four stereoisomers of (1′S)-1′-ethyl-2′-methylpropyl 3,13-dimethylpentadecanoate, the major component of the female sex pheromone of Clania variegata, were synthesized by employing olefin cross metathesis as the key reaction and starting from (R)- or (S)-2-methyl-1-butanol, (R)- or (S)-citronellal, and (S)-2-methyl-3-pentanol. Their bioassay revealed the (3R,13R,1′S)-isomer as the bioactive

  3,13-二甲基十五烷酸（1 'S）-1'-乙基-2'-甲基丙基3,13-二甲基十五烷酸酯的四种立体异构体均以烯烃交叉复分解为关键反应合成（R）-或（S）-2-甲基-1-丁醇，（R）-或（S）-香茅醛和（S）-2-甲基-3-戊醇。他们的生物测定揭示了（3 R，13 R，1 'S）-异构体是具有生物活性的异构体，通过采用Wittig反应作为关键步骤，可以通过两种不同的方式实现更有效的合成。
• Alkyl-Alkyl Suzuki Cross-Coupling of Unactivated Secondary Alkyl Chlorides
  作者：Zhe Lu、Gregory C. Fu

  DOI：10.1002/anie.201003272

  日期：2010.9.3

  reaction designed specifically for the title substrates CC coupling with alkyl boranes occurred in good yield at room temperature with commercially available catalyst components (see scheme). This versatile method is also suitable for Suzuki reactions of secondary and primary alkyl bromides and iodides, as well as primary alkyl chlorides.

  没有问题基材之类的东西！在专门为标题底物设计的反应中，C  C 与烷基硼烷偶联，在室温下使用市售催化剂组分以良好的产率发生（参见方案）。这种通用方法也适用于仲和伯烷基溴化物和碘化物以及伯烷基氯化物的 Suzuki 反应。
• Endohedral Metallocenophanes of Rhodium and Cobalt
  作者：Carsten Schaefer、Gerald Scholz、Rolf Gleiter、Thomas Oeser、Frank Rominger

  DOI：10.1002/ejic.200400851

  日期：2005.4

  The synthesis of seven endohedral metallocenophanes of rhodium (7b, 8b) and cobalt (1d−h) with a cyclopentadienyl unit as one of the π-systems and a cyclobutadiene or cyclopentadienone unit as the second π-system is described, including the synthesis of the unsubstituted parent compound of the [CpCo(cbd)]-derived endohedral phanes, [3.3]-η5-(1,1',3,3')-cyclopentadienyl–η4-(cyclobutadienophane)co-balt(I)

  描述了以环戊二烯基单元作为 π 系统之一和环丁二烯或环戊二烯酮单元作为第二个 π 系统的铑 (7b, 8b) 和钴 (1d-h) 的七种内嵌金属茂化合物的合成，包括合成[CpCo(cbd)] 衍生的内嵌体的未取代母体化合物，[3.3]-η5-(1,1',3,3')-环戊二烯基-η4-(环丁二烯烷)co-balt(I) (1h ）。该化合物可以通过相应的三甲基甲硅烷基取代的内嵌体 1g 的脱保护得到。可以获得7b、1e、1g和1h的X射线结构。本文将它们的结构特性与之前简短通讯中报道的复合物进行了比较。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)