4-tert-butyl-2-bromo-1-octyloxy-benzene | 57685-36-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-tert-butyl-2-bromo-1-octyloxy-benzene
• 英文别名: 2-Bromo-4-tert-butyl-1-(octyloxy)benzene；2-bromo-4-tert-butyl-1-octoxybenzene
• CAS: 57685-36-6
• 化学式: C₁₈H₂₉BrO
• 分子量: 341.332
• InChiKey: HBDAFSIIZLXXDK-UHFFFAOYSA-N

物化性质

• 沸点：
  373.4±30.0 °C(Predicted)
• 密度：
  1.094±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-tert-butyl-2-bromo-1-octyloxy-benzene 、 L-丙氨酸乙酯盐酸盐 在 碘 、 magnesium 作用下， 生成 (S)-(-)-2-amino-1,1-di-(2'-octyloxy-5'-tert-butyl-phenyl)-1-propanol
  参考文献：
  名称：

  Binuclear versus mononuclear copper complexes as catalysts for asymmetric cyclopropanation of styrene

  摘要：

  A number of (S)-(-)-2-amino-1,1-diaryl-1-propanol compounds have been synthesized. They were used to form the binuclear copper complexes through a spontaneous assembly of the individual components, the beta-aminoalcohol, 2-hydroxy-5-methyl-1,3-benzenedialdehyde, and copper acetate monohydrate, in methanol. These binuclear complexes were examined as asymmetric catalysts for cyclopropanation of styrene by ethyl diazoacetate. Moderate improvement in enantioselectivity has been observed for the binuclear versus mononuclear copper complexes. The e.e. values up to 87% for trans and 93% for cis products and the ratio between trans and cis products up to 9:1 have been obtained. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00009-9
• 作为产物：
  描述：

  1-溴辛烷 、 2-溴-4-叔丁基苯酚 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 48.0h， 以70%的产率得到4-tert-butyl-2-bromo-1-octyloxy-benzene
  参考文献：
  名称：

  Binuclear versus mononuclear copper complexes as catalysts for asymmetric cyclopropanation of styrene

  摘要：

  A number of (S)-(-)-2-amino-1,1-diaryl-1-propanol compounds have been synthesized. They were used to form the binuclear copper complexes through a spontaneous assembly of the individual components, the beta-aminoalcohol, 2-hydroxy-5-methyl-1,3-benzenedialdehyde, and copper acetate monohydrate, in methanol. These binuclear complexes were examined as asymmetric catalysts for cyclopropanation of styrene by ethyl diazoacetate. Moderate improvement in enantioselectivity has been observed for the binuclear versus mononuclear copper complexes. The e.e. values up to 87% for trans and 93% for cis products and the ratio between trans and cis products up to 9:1 have been obtained. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00009-9

文献信息

• Catalysts Based on Metal Complexes for the Synthesis of Optically Active Chrysanthemic Acid
  申请人：Carloni Silvia

  公开号：US20080021237A1

  公开（公告）日：2008-01-24

  Catalysts are described based on metal complexes derived from optically active S compounds, chosen from the classes consisting of bisoxazolines and salicylaldimines supported on an organic or inorganic matrix and employed in particular for the synthesis of optically active chrysanthemic acid.

  催化剂是基于光学活性S化合物衍生的金属配合物描述的，这些化合物来自于双噁唑和水杨醛亚胺类，支持在有机或无机基质上，并特别用于合成光学活性菊酸。
• Catalysts based on metal complexes for the synthesis of optically active chrysanthemic acid
  申请人：Carloni Silvia

  公开号：US20100204038A1

  公开（公告）日：2010-08-12

  Catalysts are described based on metal complexes derived from optically active s compounds, chosen from the classes consisting of bisoxazolines and salicylaldimines supported on an organic or inorganic matrix and employed in particular for the synthesis of optically active chrysanthemic acid.

  催化剂是基于由光学活性s化合物衍生的金属配合物描述的，这些化合物选自包括支持在有机或无机基质上的双噁唑啉和水杨醛亚胺的类别，并特别用于合成光学活性菊酸。
• CATALYSTS BASED ON COPPER COMPLEXES FOR THE SYNTHESIS OF OPTICALLY ACTIVE CHRYSANTHEMIC ACID
  申请人：ENDURA S.p.A.

  公开号：EP1765496B1

  公开（公告）日：2010-07-14
• CATALYSTS BASED ON METAL COMPLEXES FOR THE SYNTHESIS OF OPTICALLY ACTIVE CHRYSANTHEMIC ACID
  申请人：ENDURA S.p.A.

  公开号：EP1765496A1

  公开（公告）日：2007-03-28
• US7723539B2
  申请人：——

  公开号：US7723539B2

  公开（公告）日：2010-05-25