2-[(3-氟苯氧基)甲基]苯甲酸 | 114312-47-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[(3-氟苯氧基)甲基]苯甲酸
• 英文名称: 2-<(3-Fluorophenyl)oxymethyl>benzoic acid
• 英文别名: 2-(3-fluorophenoxymethyl)-benzoic acid；2-[(3-fluorophenyloxy)methyl]benzoic acid；2-[(3-fluorophenoxy)methyl]benzoic Acid
• CAS: 114312-47-9
• 化学式: C₁₄H₁₁FO₃
• mdl: MFCD12072102
• 分子量: 246.238
• InChiKey: MRHZIOQBQSNKPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  2-[(3-氟苯氧基)甲基]苯甲酸 在 sodium tetrahydroborate 、 氯化亚砜 、 三氟化硼乙醚 、 三氟乙酸酐 作用下， 以 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 11.5h， 生成
  参考文献：
  名称：

  Synthesis and Biological Activity of 11-(4-(Cinnamyl)-1-piperazinyl)-6,11-dihydrodibenz(b,e)oxepin Derivatives, Potential Agents for the Treatment of Cerebrovascular Disorders.

  摘要：

  合成了一系列11-[4-（肉桂基）-1-哌嗪基]-6，11-二氢二苯并[b，e]氧芴及其相关化合物，并评价了它们对完全缺血、常压缺氧、脂质过氧化和惊厥的保护活性。通过对这一系列化合物的构效关系研究，发现了（E）-1-（3-氟-6，11-二氢二苯并[b，e]氧芑-11-基）-4-（3-苯基-2-丙烯基）哌嗪二马来酸盐（50），AJ-3941，它具有最适合的联合药理活性。

  DOI：

  10.1248/cpb.39.2564
• 作为产物：
  描述：

  苯酞 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以48.5%的产率得到2-[(3-氟苯氧基)甲基]苯甲酸
  参考文献：
  名称：

  WO2006/120010

  摘要：

  公开号：

文献信息

• Dibenz[b,e]oxepin derivatives and pharmaceutical composition containing
  申请人：Dainippon Pharmaceutical Co., Ltd.

  公开号：US04889858A1

  公开（公告）日：1989-12-26

  The present invention relates to compounds represented by the general formula (I): ##STR1## wherein R.sub.1 is H or methoxy, R.sub.2 is H, methoxy, OH or F, R.sub.3 is H or F, R.sub.4 is H or F at 7-, 8- or 9-position, and .circle.Ar is a benzene, thiophene or pyridine ring, provided that (i) at least two of R.sub.1, R.sub.2, R.sub.3 and R.sub.4 are H, (ii) R.sub.2 or R.sub.3 is F when R.sub.4 is F, (iii) R.sub.1, R.sub.3 and R.sub.4 are H when R.sub.2 is methoxy or OH, (iv) R.sub.2 and R.sub.3 are not simultaneously F, and (v) R.sub.2 and R.sub.3 are H or F, and both R.sub.1 and R.sub.4 are H when .circle.Ar is a thiophene or pyridine ring, or a physiologically acceptable acid addition salt thereof. The compounds of the present invention have an excellent protective effect against cerebral anoxia and some of them have also an inhibitory effect on lipid peroxidation of mitochondrial membrane of brain and an anti-convulsant activity and are useful as an agent for prevention or treatment of cerebral diseases caused by hypoxia in mammals including human.

  本发明涉及由通式（I）表示的化合物：其中R.sub.1为H或甲氧基，R.sub.2为H、甲氧基、羟基或氟，R.sub.3为H或氟，R.sub.4为7-、8-或9-位的H或氟，.circle.Ar为苯、噻吩或吡啶环，前提是（i）至少两个R.sub.1、R.sub.2、R.sub.3和R.sub.4中的H，（ii）当R.sub.4为F时，R.sub.2或R.sub.3为F，（iii）当R.sub.2为甲氧基或羟基时，R.sub.1、R.sub.3和R.sub.4为H，（iv）R.sub.2和R.sub.3不同时为F，（v）R.sub.2和R.sub.3为H或F，当.circle.Ar为噻吩或吡啶环时，R.sub.1和R.sub.4均为H，或其生理上可接受的酸盐。本发明的化合物对大脑缺氧有良好的保护作用，其中一些化合物还具有抑制脑线粒体膜脂质过氧化和抗惊厥活性，可用作预防或治疗包括人类在内的哺乳动物由缺氧引起的脑部疾病的药物。
• Dibenzocycloheptane compounds and pharmaceuticals containing these compounds
  申请人：Laufer Stefan

  公开号：US20090105327A1

  公开（公告）日：2009-04-23

  The present invention relates to compounds of the formula I in which R1, R2, R3, R4, X and Y have the meanings indicated in the description. These compounds have immunomodulating effects, as well as an inhibiting or regulating effect on the release of IL-1β and/or TNF-α. They can therefore be used for the treatment of diseases associated with a disturbance of the immune system.

  本发明涉及式I的化合物，其中R1、R2、R3、R4、X和Y具有描述中所示的含义。这些化合物具有免疫调节作用，以及对IL-1β和/或TNF-α的释放具有抑制或调节作用。因此，它们可用于治疗与免疫系统紊乱相关的疾病。
• DIBENZ b,e OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT
  申请人：Dainippon Pharmaceutical Co., Ltd.

  公开号：EP0269755A1

  公开（公告）日：1988-06-08

  Compound represented by general formula (I), (wherein R, is H or methoxy, R2 is H, methoxy, OH or F, R3 is H or F, R4 is H or F attached to the 7-, 8- or 9-position, and Ar is benzene, thiophene or pyridine ring, provided that (i) at least two of R1, R2, R3, and R4 are each H, (ii) R2 or R3 is H when R4 is F, (iii) R,, R3 and R4 are each H when R2 is methoxy or OH, (iv) R2 and R3 are not simultaneously F, and (v) R2 and R3 are each H or F, and R1 and R4 are both H when Ar is a thiophene or pyridine ring) or a physiologically acceptable acid addition salt thereof. The compound of the present invention exhibits an excellent resistance to intracerebral anoxia and also often exhibits a peroxidation preventive action of mitochondria membrane lipid and an anticonvulsing action and is useful as preventive and therapeutic medicines for anoxia of cranial nerve cells of mammals including human being.

  由通式(I)代表的化合物，(其中R，是H或甲氧基，R2是H、甲氧基、OH或F，R3是H或F，R4是H或连接在7、8或9位的F，Ar是苯、噻吩或吡啶环，条件是(i)R1、R2、R3和R4中至少有两个各自是H、(ii)当 R4 为 F 时，R2 或 R3 为 H；(iii)当 R2 为甲氧基或 OH 时，R、R3 和 R4 各为 H；(iv)R2 和 R3 不同时为 F；(v)当 Ar 为噻吩或吡啶环时，R2 和 R3 各为 H 或 F，且 R1 和 R4 均为 H）或其生理上可接受的酸加成盐。本发明的化合物对脑内缺氧有很好的耐受性，通常还具有防止线粒体膜脂过氧化和抗惊厥的作用，可作为包括人类在内的哺乳动物颅神经细胞缺氧的预防和治疗药物。
• Design, Synthesis, and Biological Evaluation of Phenylamino-Substituted 6,11-Dihydro-dibenzo[<i>b</i>,<i>e</i>]oxepin-11-ones and Dibenzo[<i>a</i>,<i>d</i>]cycloheptan-5-ones:  Novel p38 MAP Kinase Inhibitors
  作者：Stefan A. Laufer、Gabriele M. Ahrens、Solveigh C. Karcher、Jörg S. Hering、Raimund Niess

  DOI：10.1021/jm061072p

  日期：2006.12.1

  The pathogenesis of chronic inflammatory diseases is promoted by various pro-inflammatory cytokines. p38 MAP kinase seems to be a valid target as it controls proinflammatory cytokine levels on both transcriptional and translational levels. Starting from benzophenone-type inhibitors, a rigidisation strategy lead to 3-amino-6,11-dihydro-dibenzo[b,e]thiepin-11-one, phenylamino-substituted 6,11-dihydro-dibenzo[b,e]oxepin-11-ones, and dibenzo[a,d]cyclohepten-5-ones. Synthesis, p38 inhibition, and CYP-inhibition of selected compounds are described.
• UNO, HITOSHI;KUROKAWA, MIKIO;SATO, FUMINORI;NARUTO, SHUNSUKE;MASUDA, YOSH+
  作者：UNO, HITOSHI、KUROKAWA, MIKIO、SATO, FUMINORI、NARUTO, SHUNSUKE、MASUDA, YOSH+

  DOI：——

  日期：——