8-(4-methoxyphenyl)octyl bromide | 164979-08-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 8-(4-methoxyphenyl)octyl bromide
• 英文别名: 8-(4-Methoxyphenyl)octylbromide；1-(8-bromooctyl)-4-methoxybenzene
• CAS: 164979-08-2
• 化学式: C₁₅H₂₃BrO
• 分子量: 299.251
• InChiKey: PKPYPTGERQRTTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  17
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  8-(4-methoxyphenyl)octyl bromide 在 三溴化硼 作用下， 以 甲醇 、 (2S)-N-methyl-1-phenylpropan-2-amine hydrate 、 二氯甲烷 、 氯仿 、 水 为溶剂， 生成 8-(p-hydroxyphenyl)octyl bromide
  参考文献：
  名称：

  1,3-benzenedimethanamines useful as central nervous system active agents

  摘要：

  药物化合物的公式为：##STR1## R.sup.1到R.sup.8分别为氢或C.sub.1-4烷基，m、n和p分别为0、1或2，q为0、1、2或3，X和Z分别为C.sub.1-4烷基、C.sub.1-4烷氧基、羟基、硝基、氰基、卤素、三卤甲基、羧基、C.sub.1-4烷氧基羰基或苯基，另外z与连接它的苯环一起可以是：##STR2##Y为--O--、--S--或--CH.sub.2--，V为--(CH.sub.2).sub.r--或--(CH.sub.2).sub.r S--，其中r为1到15，W为氢或可选择取代的苯基；及其盐。

  公开号：

  US05428065A1

文献信息

• A Convergent, Modular Approach to Trifluoromethyl‐Bearing 5‐Membered Rings via Catalytic C(sp ³ )−H Activation
  作者：Kai Wu、Xuyang Zhang、Liang‐Liang Wu、Jie‐Sheng Huang、Chi‐Ming Che

  DOI：10.1002/anie.202215891

  日期：2023.2.20

  modular approach to access CF3-bearing 5-membered carbo- and heterocycles via catalytic C (sp3)−H insertion is demonstrated. In the case of carbocycles, an asymmetric benzylic C−H insertion process allowed to reach high regio-, diastereo- and enantioselectivities. This protocol can be applied to the synthesis of chiral CF3 analogues of medicinal agents and natural products. The origin of selectivity

  展示了通过催化 C (sp 3 )−H 插入获得含 CF 3的 5 元碳环和杂环的模块化方法。在碳环的情况下，不对称的苄基 C-H 插入过程允许达到高区域选择性、非对映选择性和对映选择性。该协议可应用于药物制剂和天然产物的手性 CF 3类似物的合成。通过 DFT 计算研究了选择性的起源。
• Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP0637580A1

  公开（公告）日：1995-02-08

  A 1-bromoalkylbenzene derivative is prepared by reacting a phenylalkene derivative with hydrogen bromide in the presence of a non-polar solvent. The phenylalkene derivative is prepared by reacting an alkenyl halide with metal magnesium to form a Grignard reagent, and then reacting the Grignard reagent with a benzyl halide derivative. An allyl Grignard reagent is prepared by reacting continuously an allyl halide derivative with metal magnesium in an organic solvent, in which the allyl halide derivative and metal magnesium are continuously added to the reaction system and the allyl Grignard reagent formed is continuously removed from the reaction system. The processes provide the intended compounds in high yields, high selectivities and high purities.

  1-bromoalkylbenzene derivative is prepared by reacting a phenylalkene derivative with hydrogen bromide in the presence of a non-polar solvent.苯基烷烃衍生物的制备方法是先使烯基卤化物与金属镁反应生成格氏试剂，然后使格氏试剂与苄基卤化物衍生物反应。烯丙基格氏试剂是通过烯丙基卤化物衍生物与金属镁在有机溶剂中连续反应制备的，其中烯丙基卤化物衍生物和金属镁被连续加入反应体系，形成的烯丙基格氏试剂被连续从反应体系中移除。这些工艺可提供高产率、高选择性和高纯度的预期化合物。
• Substituted m-xylylene diamines for the treatment of diseases of the central nervous system
  申请人：LILLY INDUSTRIES LIMITED

  公开号：EP0645370A1

  公开（公告）日：1995-03-29

  Pharmaceutical compounds of the formula: in which A is B is R¹ to R⁸ are each hydrogen or C₁₋₄ alkyl, m, n and p are each 0, 1, or 2, q is 0, 1, 2 or 3, X and Z are each C₁₋₄ alkyl, C₁₋₄ alkoxy, hydroxy, nitro, cyano, halo, trihalomethyl, carboxy, C₁₋₄ alkoxy-carbonyl or phenyl, and in addition Z, together with the phenyl ring to which it is attached, can be: Y is -O-, -S- or -CH₂-, V is -(CH₂)r- or -(CH₂)rS- where r is 1 to 15, and W is hydrogen or optionally substituted phenyl; and salts thereof.

  式中的药物化合物： 其中 A 为 B 是 R¹至R⁸各自为氢或C₁₋₄烷基，m、n和p各自为0、1或2，q为0、1、2或3，X和Z各自为C₁₋₄烷基、C₁₋₄烷氧基、羟基、硝基、氰基、卤代、三卤甲基、羧基、C₁₋₄烷氧基-羰基、硝基、氰基、卤代、三卤甲基、羧基、C₁₋₄ 烷氧羰基或苯基，此外，Z 及其所连接的苯基环可以是： Y为-O-、-S-或-CH₂-，V为-(CH₂)r-或-(CH₂)rS-，其中 r 为 1 至 15，W 为氢或任选取代的苯基；及其盐类。
• US5428065A
  申请人：——

  公开号：US5428065A

  公开（公告）日：1995-06-27
• US5637736A
  申请人：——

  公开号：US5637736A

  公开（公告）日：1997-06-10