5-氟-2-溴甲基苯甲酸乙酯 | 56427-67-9

• 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: 5-氟-2-溴甲基苯甲酸乙酯
• 英文名称: ethyl 2-(bromomethyl)-5-fluorobenzoate
• 英文别名: ethyl 5-fluoro-2-bromomethylbenzoate；ethyl α-bromo-5-fluoro-o-toluate；2-bromomethyl-5-fluorobenzoic acid ethyl ester
• CAS: 56427-67-9
• 化学式: C₁₀H₁₀BrFO₂
• 分子量: 261.091
• InChiKey: ARZGPOREZGNCLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-氟-2-溴甲基苯甲酸乙酯 在 盐酸 、 potassium tert-butylate 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 水 、 乙腈 为溶剂， 反应 6.0h， 生成 2-benzyl-6-fluoro-2,3-dihydroisoquinolin-4(1H)-one
  参考文献：
  名称：

  [EN] AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF
  [FR] COMPOSÉ HÉTÉROCYCLIQUE AROMATIQUE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION
  [ZH] 一种芳杂环化合物及其制备方法和用途

  摘要：

  本发明提供一种芳杂环化合物及其制备方法和用途，所述的芳杂环化合物如式一所示，本发明提供的芳杂环化合物对JAK3具有很高的抑制活性，可以作为治疗或预防例如类风湿性关节炎、溃疡性结肠炎、银屑病或斑秃等炎症或自身免疫性疾病。

  公开号：

  WO2023029943A1
• 作为产物：
  描述：

  乙基5-氟-2-甲基苯甲酸酯 在 N-溴代丁二酰亚胺(NBS) 作用下， 生成 5-氟-2-溴甲基苯甲酸乙酯
  参考文献：
  名称：

  Method of treating dermal inflammations

  摘要：

  本发明描述了一种通过向患者局部施用有效量的6,11-二氢二苯并[b,e]噁喙烷酸、其生理耐受盐、衍生物或二酸前体来治疗皮肤炎症的方法。

  公开号：

  US04082850A1

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。
• 6,11-dihydrodibenz[b,e]oxepin-acetic acids and derivatives
  申请人：American Hoechst Corporation

  公开号：US04585788A1

  公开（公告）日：1986-04-29

  6,11-Dihydrodibenz[b,e]oxepin-acetic acids and derivatives having the general formula ##STR1## are prepared by multi-step sequences. X is C.dbd.O, CHCl, CHBr, CH.sub.2 or CHOR.sup.4 ; Y is alkyl or alkoxy of 1 to 4 carbon atoms, halogen or trifluoromethyl; n is 0, 1, 2 or 3; Z is COOR.sup.5, CH.sub.2 OR.sup.5, CONR.sub.2.sup.5 or CONHOR.sup.5 ; and R.sup.1 -R.sup.5 are hydrogen or alkyl of 1 to 4 carbon atoms. These compounds and the physiologically tolerable salts thereof are useful as antiinflammatory and analgesic agents.

  6,11-二氢二苯[b,e]噁喙啶-乙酸及其衍生物具有以下一般公式：##STR1## 通过多步序列制备。其中，X为C.dbd.O、CHCl、CHBr、CH.sub.2或CHOR.sup.4；Y为1至4个碳原子的烷基或烷氧基、卤素或三氟甲基；n为0、1、2或3；Z为COOR.sup.5、CH.sub.2OR.sup.5、CONR.sub.2.sup.5或CONHOR.sup.5；R.sup.1-R.sup.5为氢或1至4个碳原子的烷基。这些化合物及其生理耐受盐可用作抗炎和镇痛药物。
• AROMATIC AMIDE DERIVATIVE
  申请人：Fujimaki Nobuko

  公开号：US20110071304A1

  公开（公告）日：2011-03-24

  A compound represented by the following general formula (I) (R 1 and R 2 represent hydrogen atom, an alkyl group, a halogen atom, etc.; R 3 and R 4 represent hydrogen atom, an alkyl group, an alkoxy group, or an alkenyl group; R 5 represents hydrogen atom, an alkyl group, or nitro group, and R 6 represents hydrogen atom or an alkyl group), which acts on the transcription process of genes.

  由以下一般式（I）表示的化合物（其中R1和R2代表氢原子、烷基基团、卤原子等；R3和R4代表氢原子、烷基基团、烷氧基团或烯基基团；R5代表氢原子、烷基基团或硝基基团，R6代表氢原子或烷基基团），该化合物对基因的转录过程具有作用。
• Aromatic amide derivative
  申请人：Fujimaki Nobuko

  公开号：US08722723B2

  公开（公告）日：2014-05-13

  A compound represented by the following general formula (I) (R1 and R2 represent hydrogen atom, an alkyl group, a halogen atom, etc.; R3 and R4 represent hydrogen atom, an alkyl group, an alkoxy group, or an alkenyl group; R5 represents hydrogen atom, an alkyl group, or nitro group, and R6 represents hydrogen atom or an alkyl group), which acts on the transcription process of genes.

  以下是通式（I）所代表的化合物（其中R1和R2代表氢原子，烷基，卤素原子等；R3和R4代表氢原子，烷基，烷氧基或烯基；R5代表氢原子，烷基或硝基，R6代表氢原子或烷基），该化合物对基因转录过程具有作用。
• 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。