1-溴-5-(4-甲氧苯基)戊烷 | 14469-84-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-溴-5-(4-甲氧苯基)戊烷
• 中文别名: 1-溴-5-(4-甲氧基苯基)戊烷
• 英文名称: 1-(para-anisyl)-5-bromopentane
• 英文别名: 4-(5-bromopent-1-yl)anisole；4-(5-bromo-pentyl)-anisole；Methyl-[4-(5-brom-pentyl)-phenyl]-aether；4-Methoxy-1-(5-brom-pentyl)-benzol；5-(4-Methoxy-phenyl)-pentylbromid；4-(5-Brom-pentyl)-anisol；1-(5-Bromopentyl)-4-methoxybenzene
• CAS: 14469-84-2
• 化学式: C₁₂H₁₇BrO
• 分子量: 257.17
• InChiKey: INBIEXZCBBDGHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  1-溴-5-(4-甲氧苯基)戊烷 在 α,α,α-三联吡啶 、 nickel(II) chloride hexahydrate 、 锌 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以98%的产率得到1,10-双(4-甲氧基苯基)癸烷
  参考文献：
  名称：

  三重螺纹 [4] 轮烷

  摘要：

  [4]通过活性金属模板合成制备了具有三个轴穿过单个环的轮烷。镍催化的 sp(3)-sp(3) 烷基溴“半线”通过 37 和 38 元 2,2':6',2"-三联吡啶大环的同偶联产生三重线 [4] 轮烷到 11% 的收率。类似的 39 元大环在类似条件下不产生轮烷产物。[4]轮烷的组成通过核磁共振光谱和质谱测定。双螺纹 [3] 轮烷也从反应中获得，但没有分离出 [2] 轮烷，这表明在脱金属后，单螺纹轮烷的轴可以滑过一个大环，该大环足够容纳三个螺纹。

  DOI：

  10.1021/jacs.6b07733
• 作为产物：
  描述：

  ethyl 5-(4-methoxyphenyl)pentanoate 在 乙醇 、 sodium 、 三溴化磷 、 Petroleum ether 作用下， 生成 1-溴-5-(4-甲氧苯基)戊烷
  参考文献：
  名称：

  The elasticity of the exine

  摘要：

  We pressed pollen grain exines of ten genera with sizes ranging from about 20 to over 100 mu m in diameter past a piston in a close fitting cylinder. The clearance between piston and cylinder was about 20 mu m. Except for exines of Betula all the other pollen types were at least twice the clearance diameter and could be expected to be greatly deformed, crushed or fractured. Cracks were evident with the light microscope in some grains and a few were clearly deformed but most appeared intact, even exines of Zea mays at a diameter of 100-110 mu m. With scanning electron microscopy cracks were apparent in most of the large grains (Zea, Lilium, Pinus, Crinum and Epilobium) but not in the smaller grains (Betula, Ephedra, Tulipa, Fagus and Typha). We also found many exines within exines. In some cases, e.g., Lilium, the exines entered through apertures but in other grains such as Zea and Pinus, exines came in through cracks which had opened during acetolysis or centrifugation, then closed so tightly that the cracks were difficult to see with light microscopy. This opening and closing of cracks in exines means that the pollen grain exine is very flexible and resilient and capable of withstanding shock without permanent deformation. To regain their original form the exine components that were severely cracked, ruptured or partly separated must spring back together like the partly separated halves of a tennis ball.

  DOI：

  10.1080/00173130150503759

文献信息

• Migration of double bonds in end-blocked linear olefinic compounds
  作者：A. J. Hubert

  DOI：10.1039/j39670000235

  日期：——

  The preparation and the isomerisation of some 1,12-diphenyldodec-6-enes are described. The migration of the double bond in the presence of triethylborane gives an equilibrium between all the positional isomers. The isomer with the double bond conjugated with the aromatic nucleus is preferred but substantial quantities of the other isomers are also present at equilibrium. The concentration of the “conjugated

  描述了一些1,12-二苯基十二烷基-6-烯的制备和异构化。在三乙基硼烷的存在下双键的迁移使所有位置异构体之间保持平衡。具有与芳核共轭的双键的异构体是优选的，但是在平衡时也存在大量的其​​他异构体。“共轭异构体”的浓度对位阻非常敏感，但似乎与取代基对芳环的诱导作用无关。
• [EN] BENZOFURAN DERIVATIVES, FORMULATIONS AND USES THEREOF<br/>[FR] DERIVES DE BENZOFURANE, FORMULATIONS ET LEURS UTILISATIONS
  申请人：UNIV CARDIFF

  公开号：WO2004035568A1

  公开（公告）日：2004-04-29

  The present invention is concerned with benzofuran derivatives, pharmaceutical formulations and products containing the same, and uses thereof. More particularly, there is disclosed a compound of formula (I), or a pharmaceutically acceptable salt, or prodrug thereof formula (I) where R1 is hydroxy, C1-6 alkoxy or halogen; R2 is a 5- or 6- membered heterocyclic ring containing one or more nitrogen heteroatoms; R3 is hydrogen or hydroxy; and R4, R5, and R6, which may be the same or different, are selected from the group consisting of hydrogen, halo, cyano, CF3, C1-6 alkyl, hydroxy and C1-6 alkoxy. The compound is a potent non-steroidal inhibitors of P450AROM capable of substantially inhibiting the conversion of androstenedione to oestrone. Inhibitors according to the present invention are, therefore, useful in the treatment of oestrogen dependent or mediated diseases.

  本发明涉及苯并呋喃衍生物、含有该衍生物的药物配方和产品，以及它们的用途。更具体地说，本发明揭示了一个式(I)的化合物，或者其药学上可接受的盐或前药，其中R1是羟基、C1-6烷氧基或卤素；R2是含有一个或多个氮杂原子的5-或6-成员杂环环；R3是氢或羟基；R4、R5和R6，可以相同也可以不同，选自氢、卤素、氰基、三氟甲基、C1-6烷基、羟基和C1-6烷氧基的群。该化合物是一种有效的非甾体P450AROM抑制剂，能够显著抑制雄甾酮转化为雌二醇。因此，根据本发明的抑制剂在治疗雌激素依赖或介导的疾病方面是有用的。
• NOVEL AROMATIC THIO COMPOUNDS AS RECEPTOR MODULATORS
  申请人：Allergan, Inc.

  公开号：US20140171393A1

  公开（公告）日：2014-06-19

  The present invention relates to novel aromatic thio derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of sphingosine-1-phosphate receptors.

  本发明涉及新型芳香硫代衍生物，制备它们的方法，含有它们的药物组合物以及它们作为调节鞘氨醇-1-磷酸受体的药物的用途。
• NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY
  申请人：ALLERGAN, INC.

  公开号：US20130157982A1

  公开（公告）日：2013-06-20

  The present invention relates to novel amine derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of sphingosine-1-phosphate receptors.

  本发明涉及新型胺衍生物、其制备方法、包含它们的制药组合物以及它们作为调节鞘氨醇-1-磷酸受体的药物的用途。
• Transition metal-free approach for late-stage benzylic C(sp³)–H etherifications and esterifications
  作者：Yu Zhang、Prakash Kumar Sahoo、Peng Ren、Yuman Qin、Robin Cauwenbergh、Philippe Nimmegeers、Gandhi SivaRaman、Steven Van Passel、Andrea Guidetti、Shoubhik Das

  DOI：10.1039/d2cc02661a

  日期：——

  We report a transition metal-free approach for the regioselective functionalization of benzylic C(sp3)–H bonds using alcohols and carboxylic acids as the nucleophiles. This straightforward and general route has provided various benzylic ethers and esters, including twelve pharmaceutically relevant compounds.

  我们报告了一种使用醇和羧酸作为亲核试剂对苄基 C(sp 3 )-H 键进行区域选择性功能化的无过渡金属方法。这种简单而通用的途径提供了各种苄基醚和酯，包括十二种药学相关化合物。