magnesium,hexoxymethylbenzene,bromide | 112026-22-9

• 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: magnesium,hexoxymethylbenzene,bromide
• 英文别名: (6-(benzyloxy)hexyl)magnesium bromide；6-benzyloxyhexylmagnesium bromide
• CAS: 112026-22-9
• 化学式: C₁₃H₁₉BrMgO
• 分子量: 295.502
• InChiKey: HQVLZGWYGJYWKW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  16.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  magnesium,hexoxymethylbenzene,bromide 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 1,1,1-trifluoro-8-(benzyloxy)-2-octanol
  参考文献：
  名称：

  Efficient Synthesis of Optically Pure 1,1,1-Trifluoro-2-alkanols through Lipase-Catalyzed Acylation in Organic Media

  摘要：

  Lipase-catalyzed esterification was successfully utilized for the optical resolution of 1,1,1-trifluoro-2-alkanol 1 when racemic 1 was treated with lipase from Candida antarctica in hexane in the presence of molecular sieves (4 Angstrom) to provide the corresponding (S)-acetate 2 in an optically pure state. Alkanol 1 is known as an important component of liquid crystal compounds which display remarkable ferroelectric liquid crystal (FLC) characteristics. Five types of optically pure alkanols, i.e., 1,1,1-trifluoro-2-octanol (1a), 1,1,1-trifluoro-2-nonanol (1b), 1,1,1-trifluoro-2-decanol (1c), 1,1,1-trifluoro-2-undecanol (1d), and 1,1,1-trifluoro-8-(benzyloxy)-2-octanol (1e), were thus obtained by the lipase-catalyzed acylation.

  DOI：

  10.1021/jo951976a
• 作为产物：
  描述：

  苄基6-溴己醚 在 碘 、 magnesium 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 magnesium,hexoxymethylbenzene,bromide
  参考文献：
  名称：

  WO2021011913A5

  摘要：

  公开号：

  WO2021011913A5

文献信息

• TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE
  申请人：Arvinas, Inc.

  公开号：US20180125821A1

  公开（公告）日：2018-05-10

  The present disclosure relates to bifunctional compounds, which find utility as modulators of tau protein. In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a VHL or cereblon ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds tau protein, such that tau protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of tau. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of tau protein. Diseases or disorders that result from aggregation or accumulation of tau protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为tau蛋白的调节剂具有实用性。具体而言，本公开涉及含有一端结合到E3泛素连接酶的VHL或cereblon配体，另一端结合到tau蛋白的双功能化合物，使得tau蛋白与泛素连接酶靠近，以实现tau蛋白的降解（和抑制）。本公开展示了与tau蛋白降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由tau蛋白聚集或积累导致的疾病或紊乱。
• Molybdenum-Catalyzed Diastereoselective <i>anti</i>-Dihydroxylation of Secondary Allylic Alcohols
  作者：Shixia Su、Chuan Wang

  DOI：10.1021/acs.orglett.9b00735

  日期：2019.4.5

  In this protocol, we report a Mo-catalyzed anti-dihydroxylation of secondary allylic alcohols, providing a general method for the preparation of 1,2,3-triols bearing up to three continuous stereocenters with excellent diastereocontrol. The mechanistic studies reveal that this dihydroxylation reaction consists of two steps and up to excellent diastereomeric ratios of the final triol products can be

  在该协议中，我们报告了钼催化的仲烯丙基醇的抗二羟基化作用，为制备具有多达三个连续立体中心的1,2,3-三醇提供了出色的非对映异构控制的一般方法。机理研究表明，该二羟基化反应包括两个步骤，并且由于初始环氧化中的非对映控制和随后的原位水解中的区域控制都很高，因此最终三醇产物的非对映异构体比例可以达到极高的水平。
• A Highly Efficient Macrolactonization Method via Ethoxyvinyl Ester
  作者：Yusuke Ohba、Mayuko Takatsuji、Kenji Nakahara、Hiromichi Fujioka、Yasuyuki Kita

  DOI：10.1002/chem.200801548

  日期：2009.3.23

  Facile and efficient macrolactonization of hydroxycarboxylic acid via ethoxyvinyl esters (EVEs), which can give 9‐ to 14‐membered macrolactones in good yields, has been developed (see scheme; DCE = 1,2‐dichloroethane). The method is useful for acid‐/base‐sensitive substrates and applicable to the compound with many functional groups.

  已经开发了通过乙氧基乙烯基酯（EVE）进行羟基羧酸的简便有效的大环内酯化反应，该酯能以良好的收率生成9至14元大环内酯（请参阅方案； DCE = 1,2-二氯乙烷）。该方法适用于酸/碱敏感底物，适用于具有许多官能团的化合物。
• Indole derivatives useful as testosterone 5.alpha.-reductase inhibitors
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05530019A1

  公开（公告）日：1996-06-25

  A compound of the formula (I): ##STR1## wherein R.sup.1 is an optionally protected carboxy(lower)alkyl, R.sup.2 is a hydrogen, an optionally substituted aryl or a carboxy, X is a bond, --0--, --NH-- or a cycloalkylene, and Y is an alkylene which may be interrupted by an oxygen atom, an alkenylene or an alkadienylene, or a pharmaceutically acceptable salt thereof. The compound of the present invention is useful as a testosterone 5.alpha.-reductase inhibitor and effective against testosterone 5.alpha.-reductase-mediated diseases such as prostatism, prostatic hypertrophy, prostatic cancer, alopecia, hirsutism (e.g. female hirsutism), androgenic alopecia (or male-pattern baldness), acne (e.g. acne vulgaris, pimple), and other hyperandrogenisms.

  式(I)的化合物：##STR1##其中R.sup.1是一个可选择保护的羧基(较低)烷基，R.sup.2是氢，可选择取代的芳基或羧基，X是键，-0-，-NH-或环烷基，Y是一种可以被氧原子、烯烃基或烯二烯基中断的烷基，或其药用盐。本发明的化合物可用作睾酮5α-还原酶抑制剂，有效对抗睾酮5α-还原酶介导的疾病，如前列腺增生、前列腺癌、脱发、多毛症（例如女性多毛症）、雄激素性脱发（或男性型秃头）、痤疮（例如痤疮、粉刺）和其他高雄激素症。
• Nickel-Catalyzed Monosubstitution of Polyfluoroarenes with Organozinc Reagents Using Alkoxydiphosphine Ligand
  作者：Yuki Nakamura、Naohiko Yoshikai、Laurean Ilies、Eiichi Nakamura

  DOI：10.1021/ol301195x

  日期：2012.7.6

  partially fluorinated arenes. A nickel-catalyzed cross-coupling between a polyfluoroarene and an organozinc reagent in the presence of POP selectively produces a monosubstitution product. Aryl and alkylzinc reagents smoothly take part in the reaction. It is speculated that monosubstitution is the result of accelerated product expulsion from the product/catalyst complex.

  带有醇盐基团的新的二膦（POP）配体使我们能够合成部分氟化的芳烃。在POP存在下，多氟芳烃与有机锌试剂之间的镍催化交叉偶联选择性地产生单取代产物。芳基和烷基锌试剂可平稳地参与反应。据推测，单取代是产物/催化剂配合物加速排出产物的结果。