6-bromobenzocyclohepten-5-one | 22360-00-5

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 环庚三烯酮
• 英文名称: 6-bromobenzocyclohepten-5-one
• 英文别名: 7-Brom-2,3-benzotropon；6-Bromo-5H-benzo[7]annulen-5-one；6-bromobenzo[7]annulen-5-one
• CAS: 22360-00-5
• 化学式: C₁₁H₇BrO
• 分子量: 235.08
• InChiKey: HOQQWBNNCXRXQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 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：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-bromobenzocyclohepten-5-one 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 20.08h， 生成 (E)-2-(1-(2-ethyl-3-oxoisoindolin-1-yl)propan-2-ylidene)hydrazine-1-carboxamide
  参考文献：
  名称：

  Iriarte, Jose; Camargo, Catalina; Crabbe, Pierre, Journal of the Chemical Society. Perkin transactions I, 1980, p. 2077 - 2080

  摘要：

  DOI：
• 作为产物：
  描述：

  2-萘甲醚 以20%的产率得到
  参考文献：
  名称：

  Narayanan Namboothiri I. N., Balasubrahmanyam S. N., Indian J. Chem. B, 32 (1993) N 10, S 1029-1034

  摘要：

  DOI：

文献信息

• [EN] BENZOTHIAZOLE COMPOUNDS<br/>[FR] COMPOSÉS DE BENZOTHIAZOLE
  申请人：INST MEDICAL W & E HALL

  公开号：WO2009039553A1

  公开（公告）日：2009-04-02

  The present invention relates to benzothiazole compounds that mimic the activity of BH3 only proteins and are capable of binding to and neutralizing pro survival Bcl 2 proteins. The invention also relates to the use of such compounds in the regulation of cell death or cell survival and the treatment and/or prophylaxis of diseases or conditions associated with the deregulation of cell death or cell survival.

  本发明涉及模拟BH3-only蛋白活性并能够结合和中和促生存Bcl-2蛋白的苯并噻唑化合物。该发明还涉及利用这类化合物调节细胞死亡或细胞存活，在治疗和/或预防与细胞死亡或细胞存活失调相关的疾病或病况。
• Direct access to functionalized benzotropones, azepanes, and piperidines by reductive cross-coupling of α-bromo enones with α-bromo enamides
  作者：Timothy K. Beng、Kayla Sincavage、Ann Wens V. Silaire、Amir Alwali、Daniel P. Bassler、Laura E. Spence、Oliver Beale

  DOI：10.1039/c5ob00517e

  日期：——

  The synthesis of functionalized azepenes and piperidines bearing an α-cycloheptenone or benzotropone derivative has been accomplished through direct reductive cross-coupling of α-bromo eneformamides or enecarbamates with highly versatile α-bromo benzotropone derivatives, under cobalt catalysis. The coupling products have been further elaborated to other synthetically useful aza-heterocyclic frameworks

  通过在钴催化下，α-溴代烯甲酰胺或烯甲酸酯与高度通用的α-溴代苯甲酮衍生物的直接还原性交叉偶联，已经完成了带有α-环庚酮或苯甲酮衍生物的官能化氮杂环丙烷和哌啶的合成。偶联产物已被进一步细化为其他合成上有用的氮杂杂环骨架。
• Photochemistry of ethenobenzocycloheptenones
  作者：Alfred Hassner、David Middlemiss、Judith Murray-Rust、Peter Murray-Rust

  DOI：10.1016/0040-4020(82)85089-8

  日期：1982.1

  Benzotropones 6 react with dienophiles 7 to give endo-adducts 8 as shown by PMR. Unlike similar ketones which usually undergo 1,3-acyl shifts or oxadi-π-methane rearrangements, these ethenobenzocycloheptenones 8, on direct or sensitized irradiation, lead to the di-π-methane rearrangement products 1H-benzo[f]cycloprop[cd]-indenones 9. The structures of the latter were elucidated by the use of Eu(FOD)3

  Benzotropones 6与亲二烯体反应，7，得到内型-adducts 8如图PMR。与通常经过1，3-酰基转移或恶二酮-π-甲烷重排的类似酮不同，这些乙炔苯并环庚烯酮8在直接或敏化辐射下会导致二-π-甲烷重排产物1H-苯并[f]环丙[cd] -茚二酮9。通过使用Eu（FOD）3和X射线衍射阐明了后者的结构。四氢芴酮19的长时间辐射（乙苯并环庚烯酮的潜在1，3-酰基转移产物）仅产生二烯基醛21低转换率。这些结果表明，在这些反应中选择的化学途径取决于几何和电子因素。
• BENZOTHIAZOLE COMPOUNDS
  申请人：Watson Keith Geoffrey

  公开号：US20100197711A1

  公开（公告）日：2010-08-05

  The present invention relates to benzothiazole compounds that mimic the activity of BH3 only proteins and are capable of binding to and neutralizing pro survival Bcl 2 proteins. The invention also relates to the use of such compounds in the regulation of cell death or cell survival and the treatment and/or prophylaxis of diseases or conditions associated with the deregulation of cell death or cell survival.

  本发明涉及苯并噻唑化合物，其模拟BH3仅蛋白的活性，并能够结合和中和促生存的Bcl-2蛋白。本发明还涉及使用这种化合物来调节细胞死亡或细胞存活以及治疗和/或预防与细胞死亡或细胞存活失调相关的疾病或病症。
• The Palladium-Catalyzed Glycosylation of Halotropones
  作者：Qi Chen、Ping Lan、Shen Tan、Martin G. Banwell

  DOI：10.1021/acs.orglett.2c04099

  日期：2023.1.20

  A range of mono- and disaccharides, including glucose derivative 10, has been cleanly coupled, in the presence of a Pd catalyst, with various halogenated and structurally distinctive tropones, including “parent” compound 11, to afford the corresponding α- and β-anomeric forms of the tropolone glycosides, e.g., 12 and 13, respectively. Varying the ligand used influences the anomer distribution significantly

  一系列单糖和双糖，包括葡萄糖衍生物10，在 Pd 催化剂存在下，与各种卤化和结构独特的托酮（包括“母体”化合物11 ）干净地偶联，得到相应的 α- 和 β-异头形式的托酚酮糖苷，例如分别为12和13。改变所使用的配体会显着影响端基异构体分布，从而使 α- 或 β- 形式占主导地位。当使用二卤化类肌酸素作为偶联伙伴时，观察到显着的化学选择性和区域选择性。