1-(1-溴乙基)-3-叔丁基苯 | 155734-75-1

• 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: 1-(1-溴乙基)-3-叔丁基苯
• 英文名称: 1-(1-bromoethyl)-3-tert-butylbenzene
• CAS: 155734-75-1
• 化学式: C₁₂H₁₇Br
• 分子量: 241.171
• InChiKey: QEISRFVBPFFHKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-(1-溴乙基)-3-叔丁基苯 在 氢氧化钾 作用下， 以 异丙醇 为溶剂， 反应 2.0h， 以50%的产率得到m-tert-butylstyrene
  参考文献：
  名称：

  WO2008/53148

  摘要：

  公开号：
• 作为产物：
  描述：

  1-特-丁基-3-乙基苯 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 以95%的产率得到1-(1-溴乙基)-3-叔丁基苯
  参考文献：
  名称：

  WO2008/53148

  摘要：

  公开号：

文献信息

• METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION
  申请人：Lanver Andreas

  公开号：US20120209031A1

  公开（公告）日：2012-08-16

  The invention relates to a process for the preparation of m-substituted phenylalkanols of the formula (I) in which R 1 is C 1 -C 5 -alkyl and R 2 , R 3 , R 4 and R 5 , independently of one another, are hydrogen or methyl, wherein a p-substituted phenylalkanol of the formula (II) in which R 1 , R 2 , R 3 , R 4 and R 5 having the meanings given under formula (I), is isomerized in the presence of a Friedel-Crafts catalyst to give an m-substituted phenylalkanol of the formula (I). From the m-substituted phenylalkanols of the formula (I) it is possible to form, by oxidation or dehydrogenation, as products of value, the corresponding aldehydes, which are known as fragrances and aroma chemicals.

  该发明涉及一种制备式(I)的m-取代苯基烷醇的方法，其中R1为C1-C5-烷基，R2、R3、R4和R5分别独立地为氢或甲基，其中在Friedel-Crafts催化剂存在下，式(I)给定的R1、R2、R3、R4和R5的含义的p-取代苯基烷醇(II)异构化为m-取代苯基烷醇(I)。通过氧化或脱氢，可以从式(I)的m-取代苯基烷醇中形成具有价值的产品，即对应的醛，这些醛被称为香料和香精化学品。
• Insertion of Diazo Esters into C–F Bonds toward Diastereoselective One-Carbon Elongation of Benzylic Fluorides: Unprecedented BF₃ Catalysis with C–F Bond Cleavage and Re-formation
  作者：Fei Wang、Yoshihiro Nishimoto、Makoto Yasuda

  DOI：10.1021/jacs.1c10517

  日期：2021.12.15

  Selective transformation of C–F bonds remains a significant goal in organic chemistry, but C–F insertion of a one-carbon-atom unit has never been established. Herein we report the BF3-catalyzed formal insertion of diazo esters as one-carbon-atom sources into C–F bonds to accomplish one-carbon elongation of benzylic fluorides. A DFT calculation study revealed that the BF3 catalyst could contribute to

  C-F 键的选择性转化仍然是有机化学中的一个重要目标，但 C-F 插入单碳原子单元从未建立。在这里，我们报告了 BF 3催化的重氮酯作为单碳原子源形式插入 C-F 键以实现苄基氟化物的单碳延伸。DFT 计算研究表明，BF 3催化剂可以促进 C-F 键的断裂和重新形成。这种延伸提供了具有高水平非对映选择性的α-氟-α,β-二芳基酯。各种苄基氟化物和重氮酯均适用。该方法的合成效用通过合成一种化合物的氟类似物来证明，该化合物用作瞬时受体和潜在的经典通道抑制剂。
• PROCESS FOR PREPARING M- OR P-SUBSTITUTED PHENYLALKANOLS BY ALKYLATION
  申请人：Lanver Andreas

  公开号：US20120209030A1

  公开（公告）日：2012-08-16

  The invention relates to a process for the preparation of m- or p-substituted phenylalkanols of the formula (I) in which R 1 is bonded to the phenyl ring in the m- or p-position and is C 1 -C 5 -alkyl, and R 2 , R 3 , R 4 and R 5 , independently of one another, are hydrogen or methyl, wherein an unsubstituted phenylalkanol of the formula (II) in which R 2 , R 3 , R 4 and R 5 have the meanings given under formula (I) is alkylated together with a C 1 -C 5 -alkyl halide of the formula (III) R 1 -Hal  (III), in which R 1 has the meaning given under formula (I) and Hal is halogen, in the presence of a Friedel-Crafts catalyst to give an m- or p-alkyl-substituted phenylalkanol of the formula (I), then the reaction mixture is worked-up and the desired m- or p-alkyl-substituted phenylalkanol of the formula (I) is separated off, the other formed by-products are returned to the reaction mixture and these are isomerized in the presence of a Friedel-Crafts catalyst to give the desired m- or p-alkyl-substituted phenylalkanol. From the m- or p-alkyl-substituted phenylalkanols of the formula (I), it is possible to form, by oxidation or dehydrogenation, as products of value, the corresponding aldehydes, which play an interesting role as fragrances and aroma chemicals.

  本发明涉及一种制备公式（I）中m-或p-取代苯基丙醇的方法，其中R1与苯环中的m-或p-位置相结合，为C1-C5烷基，而R2、R3、R4和R5独立地为氢或甲基。在存在弗里德尔-克拉夫茨催化剂的情况下，将具有公式（II）中R2、R3、R4和R5给定含义的未取代苯基丙醇与公式（III）中的C1-C5烷基卤代物R1-Hal（III）一起烷基化，其中R1具有公式（I）中给定的含义，Hal是卤素，以得到m-或p-烷基取代苯基丙醇的公式（I）式，然后处理反应混合物并分离所需的m-或p-烷基取代苯基丙醇的公式（I）式，将其他形成的副产物返回反应混合物并在弗里德尔-克拉夫茨催化剂的存在下进行异构化，以得到所需的m-或p-烷基取代苯基丙醇。从公式（I）中的m-或p-烷基取代苯基丙醇中，可以通过氧化或脱氢形成有价值的产品，即对应的醛，这些醛在香料和香气化学品中具有有趣的作用。
• Novel Fragrance Compounds
  申请人：Fortineau Anne Dominique

  公开号：US20100069287A1

  公开（公告）日：2010-03-18

  A compound having the structure (A) where R1 is C1 to C5 alkyl, and R2 to R5 are independently selected from H and methyl, having a strong odour and for use as a perfumery ingredient, particularly in Muguet accords/fragrances, is provided.

  提供一种具有结构（A）的化合物，其中R1为C1至C5烷基，R2至R5分别独立选择H和甲基，具有强烈的气味，用作香料成分，特别是在鸢尾花香调/香水中。
• Fluorescent compositions comprising diketopyrrolopyrroles
  申请人：Yamamoto Hiroshi

  公开号：US20050008892A1

  公开（公告）日：2005-01-13

  The present invention relates to compositions comprising a guest chromophore and a host chromophore, wherein the absorption spectrum of the guest chromophore overlaps with the fluorescence emission spectrum of the host chromophore, wherein the host chromophore is a diketopyrrolopyrrole having an absorption peak at 500 to 720 nm, preferably 500 to 600 nm, most preferred 520 to 580 nm and wherein the guest chromophore is a diketopyrrolopyrrole having an absorption peak at 500 to 720 nm, preferably 500 to 600 nm, most preferred 520 to 580 nm and their use for the preparation of inks, colorants, pigmented plastics for coatings, non-impact-printing material, color filters, cosmetics, polymeric ink particles, toners, dye lasers and electroluminescent devices. A luminescent device comprising a composition according to the present invention is high in the efficiency of electrical energy utilisation and high in luminance.

  本发明涉及包含客体发色团和宿主发色团的组合物，其中客体发色团的吸收光谱与宿主发色团的荧光发射光谱重叠，其中宿主发色团是一种二酮吡咯，其吸收峰在500至720纳米，优选500至600纳米，最优选520至580纳米，客体发色团是一种二酮吡咯，其吸收峰在500至720纳米，优选500至600纳米，最优选520至580纳米、它们可用于制备油墨、着色剂、涂料用颜料塑料、非冲击印刷材料、彩色滤光片、化妆品、聚合物油墨颗粒、墨粉、染料激光器和电致发光装置。由本发明组合物组成的发光装置具有较高的电能利用效率和亮度。