1-(2-溴乙基)-4-异丙基苯 | 35338-68-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 1-(2-溴乙基)-4-异丙基苯
• 英文名称: p-isopropylphenethyl bromide
• 英文别名: p-(2-Bromethyl)cumol；4-Isopropyl-1-(β-bromethyl)-benzol；4-isopropyl-phenethyl bromide；4-Isopropyl-phenaethylbromid；1-(2-Bromoethyl)-4-isopropylbenzene；1-(2-bromoethyl)-4-propan-2-ylbenzene
• CAS: 35338-68-2
• 化学式: C₁₁H₁₅Br
• 分子量: 227.144
• InChiKey: UULVXHIADFFGJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2903999090

反应信息

• 作为反应物：
  描述：

  1-(2-溴乙基)-4-异丙基苯 在 硫酸 、 苯 作用下， 生成 7-异丙基-1-四氢萘酮
  参考文献：
  名称：

  Bradfield et al., Journal of the Chemical Society, 1936, p. 667,675

  摘要：

  DOI：
• 作为产物：
  描述：

  4-异丙基苯乙醇 在 氢溴酸 作用下， 生成 1-(2-溴乙基)-4-异丙基苯
  参考文献：
  名称：

  v. Braun; Wirz, Chemische Berichte, 1927, vol. 60, p. 110

  摘要：

  DOI：

文献信息

• Polymethylhydrosiloxane reduction of carbonyl function catalysed by titanium tetrachloride
  作者：N. D. Jumbam、S. Makaluza、W. Masamba

  DOI：10.4314/bcse.v32i1.18

  日期：——

  ketones into the corresponding methylene derivatives by polymethylhydrosiloxane in the presence of titanium tetrachloride as catalyst was achieved in good to excellent yields ranging from 55-90%. The reaction took place under relatively mild conditions and smoothly led to the desired target molecules in the presence of other functional groups such as halogens, hydroxyl, nitro and methoxy groups. However

  在四氯化钛作为催化剂的存在下，通过聚甲基氢硅氧烷将芳族醛​​和酮还原为相应的亚甲基衍生物的产率高达55-90％，优良至极好。该反应在相对温和的条件下进行，并在存在其他官能团如卤素，羟基，硝基和甲氧基的情况下平稳地产生所需的目标分子。然而，在具有两个紧邻（1，2位）的甲氧基的底物的还原中，由于可能的原因，该反应需要大量的钛催化剂和更长的反应时间以完成羰基官能团的还原。与甲氧基形成四氯化钛的配合物。关键词：羰基还原，聚甲基氢硅氧烷，四氯化钛，催化剂，氢化物转移公牛。化学 Soc。埃塞俄比亚。2018，32（1），179-184 DOI：https://dx.doi.org/10.4314/bcse.v32i1.18
• Procédé de préparation de dérives biphenylyl
  申请人：SANOFI-SYNTHELABO

  公开号：EP1216996A2

  公开（公告）日：2002-06-26

  L'invention concerne un procédé pour la préparation de dérivés biphénylyl par condensation entre des dérivés phényl substitués par un groupe partant et des acides benzèneboroniques, en présence d'un catalyseur, d'une base forte et d'un agent de transfert de phase.

  本发明涉及一种在催化剂、强碱和相转移剂存在下，通过被离去基团取代的苯基衍生物与苯硼酸缩合制备联苯衍生物的工艺。
• Cyclization of Arylacetoacetates to Indene and Dihydronaphthalene Derivatives in Strong Acids. Evidence for Involvement of Further Protonation of O,O-Diprotonated β-Ketoester, Leading to Enhancement of Cyclization
  作者：Hiroaki Kurouchi、Hiromichi Sugimoto、Yuko Otani、Tomohiko Ohwada

  DOI：10.1021/ja908749u

  日期：2010.1.20

  The chemical features, such as substrate stability, product distribution, and substrate generality, and the reaction mechanism of Bronsted superacid-catalyzed cyclization reactions of aromatic ring-containing acetoacetates (beta-ketoesters) were examined in detail. While two types of carbonyl cyclization are possible, i.e., keto cyclization and ester cyclization, the former was found to take place exclusively. The reaction constitutes an efficient method to synthesize indene and 3,4-dihydronapthalene derivatives. Acid-base titration monitored with C-13 NMR spectroscopy showed that the acetoacetates are fully O-1,O-3-diprotonated at H-0 = -11. While the five-membered ring cyclization of the arylacetoacetates proceeded slowly at H-0 = -11, a linear increase in the rate of the cyclization was found with increasing acidity in the high acidity region of H-0 = -11.8 to -13.3. Therefore, the O-1,O-3-diprotonated acetoacetates exhibited some cyclizing reactivity, but they are not the reactive intermediates responsible for the acceleration of the cyclization in the high acidity region. The reactive cationic species might be formed by further protonation (or protosolvation) of the O-1,O-3-diprotonated acetoacetates; i.e., they may be tricationic species. Thermochemical data on the acid-catalyzed cyclization of the arylacetoacetates showed that the activation energy is decreased significantly as compared with that of the related acid-catalyzed cyclization reaction of a compound bearing a single functional group, such as a ketone. These findings indicate that intervention of the trication contributes to the activation of the cyclization of arylacetoacetates in strong acid, and the electron-withdrawing nature of the O-protonated ester functionality significantly increases the electrophilicity of the ketone moiety.
• v. Braun; Wirz, Chemische Berichte, 1927, vol. 60, p. 110
  作者：v. Braun、Wirz

  DOI：——

  日期：——
• 55. Terpene compounds. Part VIII. The conversion of (±)-benzylidenepiperitone into 3-isopropylphenanthrene
  作者：J. C. Bardhan、R. N. Adhya

  DOI：10.1039/jr9560000260

  日期：——