3,5-methylbenzyl methanesulfonate | 96258-52-5

• 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: 3,5-methylbenzyl methanesulfonate
• 英文别名: 3,5-dimethylbenzyl methanesulfonate；(3,5-Dimethylphenyl)methyl methanesulfonate；(3,5-dimethylphenyl)methyl methanesulfonate
• CAS: 96258-52-5
• 化学式: C₁₀H₁₄O₃S
• 分子量: 214.285
• InChiKey: YEHQBKCSZQKGNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  3,5-methylbenzyl methanesulfonate 、 (S)-methyl 3-(4-hydroxyphenyl)-2-(palmitamido)propanoate 在 18-冠醚-6 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 以660 mg的产率得到(S)-methyl 3-(4-(3,5-dimethylbenzyloxy)phenyl)-2-palmitamidopropanoate
  参考文献：
  名称：

  Synthesis and structure–activity relationships of tyrosine-based inhibitors of autotaxin (ATX)

  摘要：

  Autotaxin (ATX) is a secreted soluble enzyme that generates lysophosphatidic acid (LPA) through its lysophospholipase D activity. Because of LPA's role in neoplastic diseases, ATX is an attractive therapeutic target due to its involvement in LPA biosynthesis. Here we describe the SAR of ATX inhibitor, VPC8a202, and apply this SAR knowledge towards developing a high potency inhibitor. We found that electron density in the pyridine region greatly influences activity of our inhibitors at ATX. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.030
• 作为产物：
  描述：

  3,5-二甲基苯甲醇 、 甲基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3,5-methylbenzyl methanesulfonate
  参考文献：
  名称：

  Synthesis and structure–activity relationships of tyrosine-based inhibitors of autotaxin (ATX)

  摘要：

  Autotaxin (ATX) is a secreted soluble enzyme that generates lysophosphatidic acid (LPA) through its lysophospholipase D activity. Because of LPA's role in neoplastic diseases, ATX is an attractive therapeutic target due to its involvement in LPA biosynthesis. Here we describe the SAR of ATX inhibitor, VPC8a202, and apply this SAR knowledge towards developing a high potency inhibitor. We found that electron density in the pyridine region greatly influences activity of our inhibitors at ATX. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.030

文献信息

• 安定剤化合物、液晶組成物および表示素子
  申请人：ＤＩＣ株式会社

  公开号：JP2020090441A

  公开（公告）日：2020-06-11

  【課題】液晶組成物の劣化を防止し、液晶組成物との相溶性が高く、液晶組成物の保存安定性を損なうことなく、かつ簡便に製造可能な安定剤化合物の提供。【解決手段】一般式（ｉ）で表される化合物、該化合物を含有する液晶組成物及び表示素子。（式中、Ｚｉ１はで表される基を表し、Ｙｉ１はシクロヘキサン、ベンゼン、ビフェニル又はナフタレンから誘導される多価基を表し、ｔｉ１は１、２、３又は４を表す。）【選択図】なし

  【课题】提供一种稳定剂化合物，该化合物能够防止液晶组成物的劣化，并且与液晶组成物具有高相溶性，不会损害液晶组成物的保存稳定性，且能够简便地制造。 【解决手段】提供一般式（ｉ）表示的化合物、含有该化合物的液晶组成物以及显示元件。式中，Ｚｉ１表示由表示的基团、Ｙｉ１表示由环己烷、苯、联苯或萘衍生出的多价基团、ｔｉ１表示1、2、3或4。 【选择图】无
• 10.1021/acs.orglett.4c02082
  作者：Li, En、Liao, Xiaoyun、Guo, Fangfang、Huang, Yong、Chen, Jiean

  DOI：10.1021/acs.orglett.4c02082

  日期：——

  The field of asymmetric catalysis has been developed by exploring noncovalent interactions, particularly within N-heterocyclic carbene-mediated processes. Despite challenges due to the limited number of compatible electrophiles (predominantly π-acceptors), this study introduces the first asymmetric α-alkylation of 3-aryl oxindoles using Csp3 electrophiles. The innovative protocol integrates diverse

  不对称催化领域是通过探索非共价相互作用而发展起来的，特别是在 N-杂环卡宾介导的过程中。尽管由于相容亲电子试剂（主要是 π 受体）数量有限而面临挑战，本研究首次使用 C sp3亲电子试剂对 3-芳基羟吲哚进行不对称 α-烷基化。该创新方案集成了多种羟吲哚和烷基、烯丙基和炔丙基亲电子试剂，实现了高产率和对映选择性。初步的机理探索支持非共价催化机制，增强了构建具有潜在应用的复杂手性分子的工具包。
• Stabilization demands of diethyl phosphonate substituted carbocations as revealed by substituent effects
  作者：Xavier Creary、Ted L. Underiner

  DOI：10.1021/jo00212a033

  日期：1985.6
• Synthesis and structure–activity relationships of tyrosine-based inhibitors of autotaxin (ATX)
  作者：James E. East、Andrew J. Kennedy、Jose L. Tomsig、Alexandra R. De Leon、Kevin R. Lynch、Timothy L. Macdonald

  DOI：10.1016/j.bmcl.2010.09.030

  日期：2010.12

  Autotaxin (ATX) is a secreted soluble enzyme that generates lysophosphatidic acid (LPA) through its lysophospholipase D activity. Because of LPA's role in neoplastic diseases, ATX is an attractive therapeutic target due to its involvement in LPA biosynthesis. Here we describe the SAR of ATX inhibitor, VPC8a202, and apply this SAR knowledge towards developing a high potency inhibitor. We found that electron density in the pyridine region greatly influences activity of our inhibitors at ATX. (C) 2010 Elsevier Ltd. All rights reserved.