7-羟基-1-萘甲腈 | 19307-13-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 7-羟基-1-萘甲腈
• 中文别名: 7-羟基-1-萘氰基
• 英文名称: 8-Cyano-2-naphthol
• 英文别名: 7-hydroxy-1-cyanonaphthalene；7-hydroxy-1-naphthonitrile；7-Hydroxy-naphthoesaeure-(1)-nitril；7-Hydroxynaphthalene-1-carbonitrile
• CAS: 19307-13-2
• 化学式: C₁₁H₇NO
• 分子量: 169.183
• InChiKey: UDGWTXRLMHXQKB-UHFFFAOYSA-N

物化性质

• 熔点：
  195-196 °C
• 沸点：
  383.1±15.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  | 室温 |

反应信息

• 作为反应物：
  描述：

  7-羟基-1-萘甲腈 在 四(三苯基膦)钯 、 C₆H₅N*HCl 、 溴 、 sodium carbonate 、 溶剂黄146 作用下， 以 乙二醇二甲醚 为溶剂， 反应 9.0h， 生成 3-(3-氟-4-羟基苯基)-7-羟基萘-1-甲腈
  参考文献：
  名称：

  ERβ Ligands. 3. Exploiting Two Binding Orientations of the 2-Phenylnaphthalene Scaffold To Achieve ERβ Selectivity

  摘要：

  The 2-phenylnaphthalene scaffold was explored as a simplified version of genistein in order to identify ER selective ligands. With the aid of docking studies, positions 1, 4, and 8 of the 2-phenylnaphthalene template were predicted to be the most potentially influential positions to enhance ER selectivity using two different binding orientations. Both orientations have the phenol moiety mimicking the A-ring of genistein. Several compounds predicted to adopt orientations similar to that of genistein when bound to ERbeta were observed to have slightly higher ER affinity and selectivity than genistein. The second orientation we exploited, which was different from that of genistein when bound to ERbeta, resulted in the discovery of several compounds that had superior ER selectivity and affinity versus genistein. X-ray structures of two ER selective compounds (i.e., 15 and 47) confirmed the alternate binding mode and suggested that substituents at positions 1 and 8 were responsible for inducing selectivity. One compound (i.e., 47, WAY-202196) was further examined and found to be effective in two models of inflammation, suggesting that targeting ER may be therapeutically useful in treating certain chronic inflammatory diseases.

  DOI：

  10.1021/jm058173s
• 作为产物：
  描述：

  1-氨基-7-萘酚 生成 7-羟基-1-萘甲腈
  参考文献：
  名称：

  Willstaetter et al., Justus Liebigs Annalen der Chemie, 1930, vol. 477, p. 161,178

  摘要：

  DOI：

文献信息

• Substituted phenyl naphthalenes as estrogenic agents
  申请人：Wyeth

  公开号：US20030181519A1

  公开（公告）日：2003-09-25

  This invention provides estrogen receptor modulators of formula I, having the structure 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , and R 10 , are as defined in the specification, or a pharmaceutically acceptable salt thereof.

  这项发明提供了具有结构的式I的雌激素受体调节剂 1 其中 R 1 ，R 2 ，R 3 ，R 4 ，R 5 ，R 6 ，R 7 ，R 8 ，R 9 和R 10 如规范中所定义，或其药用可接受盐。
• Compositions and Methods Incorporating Photocatalysts
  申请人：Baker Ellen Schmidt

  公开号：US20090285768A1

  公开（公告）日：2009-11-19

  The various embodiments provide a composition including an active material having functional groups capable of covalent attachment to a substrate in the presence of an acid or a base, a photocatalyst capable of generating an acid or a base upon exposure to light, and a vehicle. The compositions may also include surfactants, emulsifiers, oxidants, and other components. A method for treating a substrate is also disclosed. The method includes the steps of applying at least one active material having functional groups to the substrate, applying a photocatalyst to the substrate, and exposing the photocatalyst and the at least one active material to light for forming covalent attachments between the functional groups and constituent groups on the substrate. The compositions and methods described herein are useful in personal care product and consumer care product applications, for example.

  各种实施例提供了一种组合物，包括具有在酸或碱存在下能够与基底共价结合的功能基团的活性材料，能够在光照下生成酸或碱的光催化剂，以及载体。该组合物还可以包括表面活性剂、乳化剂、氧化剂和其他组分。还公开了一种处理基底的方法。该方法包括将至少一种具有功能基团的活性材料应用于基底，将光催化剂应用于基底，并将光照射到光催化剂和至少一种活性材料，以形成功能基团与基底上的成分基团之间的共价结合。这里描述的组合物和方法在个人护理产品和消费者护理产品应用中是有用的。
• 一种杂环有机光电材料及其制备方法与应用
  申请人：陕西莱特光电材料股份有限公司

  公开号：CN110204502B

  公开（公告）日：2021-02-12

  本发明涉及一种杂环有机光电材料及其制备方法与应用，该材料为如下式Ⅰ所示化合物：本发明材料是化学稳定性、电子迁移率等优异的杂环芳烃类衍生物，一步合成，转化率高，该材料具有优良的电子传输特性和空穴迁移率、热稳定良好、高效率、低驱动电压和不易结晶的优点，应用于电致发光器件中，驱动电压低，亮度高，热稳定良好，半衰期周期长，成本低廉，寿命提高了2～3倍。
• SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13
  申请人：Shionogi&Co., Ltd.

  公开号：EP2128134A1

  公开（公告）日：2009-12-02

  A compound represented by the general formula (I): wherein R1 is wherein R26 and R28 are each independently lower alkyloxy and the like; n1 is an integer of 0 to 3; Z is a optionally substituted C1-C5 alkynylene which may be interrupted with a substituent selected from Substituent group a and the like; A is a group represented by the formula: wherein R6 and R7 are each independently lower alkyl and the like; m and n are each independently 0, 1, or 2; R2 is a hydrogen atom and the like; R3 is optionally substituted lower alkyl and the like; R4 is a hydrogen atom; or R3 and R4 may be taken together with an adjacent carbon atom to from a ring; R5 is hydroxyl and the like, or an optically active isomer, a pharmaceutically acceptable salt or a solvate thereof.

  通式 (I) 所代表的化合物： 其中 R1 是 其中 R26 和 R28 各自独立地为低级烷氧基等；n1 为 0 至 3 的整数；Z 为任选取代的 C1-C5 烯烃，可被选自取代基 a 等的取代基打断；A 为由式（I）表示的基团： 其中 R6 和 R7 各自独立地为低级烷基等；m 和 n 各自独立地为 0、1 或 2；R2 为氢原子等；R3 为任选取代的低级烷基等；R4 为氢原子；或 R3 和 R4 可与相邻碳原子一起构成环；R5 为羟基等，或其光学活性异构体、药学上可接受的盐或溶液。
• Shaping keratin fibers using arabinose and ethylene carbonate
  申请人：The Procter & Gamble Company

  公开号：US10195130B2

  公开（公告）日：2019-02-05

  A method for shaping keratin fibers including providing a crosslinking composition, wherein the crosslinking composition includes ethylene carbonate, arabinose, a photocatalyst being a hydroxy-substituted aromatic compound, and a cosmetically acceptable carrier; applying the crosslinking composition to keratin fibers; and mechanically shaping the keratin fibers with an appliance at a temperature of from 80° C. to 180° C. while exposing the crosslinking composition to electromagnetic radiation having a wavelength of from 300 nm to 750 nm.

  一种塑造角蛋白纤维的方法，包括提供一种交联组合物，其中交联组合物包括碳酸亚乙酯、阿拉伯糖、一种光催化剂（一种羟基取代的芳香族化合物）和一种美容上可接受的载体；将交联组合物涂在角蛋白纤维上；以及在80° C至180° C的温度下用一种器具机械地塑造角蛋白纤维，同时将交联组合物暴露于波长为300 nm至750 nm的电磁辐射中。