(+/-)-3-phenyl-1-pentanol | 2845-28-5

• 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: (+/-)-3-phenyl-1-pentanol
• 英文别名: (+/-)-3-phenylpentan-1-ol；3-Phenyl-1-pentanol；3-phenylpentan-1-ol；(+/-)-3-phenyl-pentanol-(1)；3-phenyl-pentan-1-ol；γ-ethyl-benzenepropanol
• CAS: 2845-28-5；2845-25-2；91967-84-9
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: JPPLSSACGHEOFN-UHFFFAOYSA-N

物化性质

• 沸点：
  118 °C(Press: 1 Torr)
• 密度：
  0.965±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (+/-)-3-phenyl-1-pentanol 在 吡啶 、 potassium iodide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 N-ethyl-N-cyanoethylaniline
  参考文献：
  名称：

  Enantioselective halogenative semi-pinacol rearrangement: a stereodivergent reaction on a racemic mixture

  摘要：

  利用双相卤代半频哪醇重排反应方案，已实现了一种高效、定量的消旋化策略，用于光学非活性的烯丙基环烷醇。生成的β-卤代螺酮，含有三个相邻的手性中心，通过常规硅胶柱层析可轻易回收，且具有高度的非对映异构和立体异构纯度。这些光学活性产物还可以进一步进行化学操作，获得合成上有趣的骨架，同时完全保留立体异构完整性。

  DOI：

  10.1039/c4cc05923a
• 作为产物：
  描述：

  3-Ethyl-3-phenyl-acrylsaeure-ethylester 在 copper oxide-chromium oxide 作用下， 250.0 ℃ 、19.61 MPa 条件下， 生成 (+/-)-3-phenyl-1-pentanol
  参考文献：
  名称：

  The Jacobsen Rearrangement. VIII.¹ Cyclic Systems; Mechanism

  摘要：

  DOI：

  10.1021/ja01234a036

文献信息

• [EN] FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF<br/>[FR] DERIVES DE LA PYRIMIDIN-4(3H)-ONE A CYCLES FUSIONNES, SPN PROCEDE DE PREPARATION ET SES UTILISATIONS
  申请人：SANKYO CO

  公开号：WO2003106435A1

  公开（公告）日：2003-12-24

  AbstractNovel compounds of the following formula (I) and pharmacologically acceptable salt and esters thereof can modulate LXR function and as a result show excellent anti-arteriosclerotic and anti-inflammatory activity:wherein:A represents aryl or heteroaryl;R1, R2 and R3 are the same or different and each represents hydrogen, hydroxyl, nitro, cyano, amino, halogen, carboxy, carbamoyl, mercapto, alkyl, haloalkyl, alkylcarbonyloxy, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino, dialkylamino, alkylcarbonylamino, N-(alkylcarbonyl)-N-(alkyl)amino, alkoxycarbonylamino, N-(alkoxycarbonyl)-N-(alkyl)amino, alkylsulfonylamino, N-(alkylsulfonyl)-N-(alkyl)amino, haloalkylsulfonylamino, N-(haloalkylsulfonyl)-N-(alkyl)amino, alkylcarbonyl, alkoxycarbonyl, alkylaminocarbonyl or dialkylaminocarbonyl group, or R1 and R2 together are alkylenedioxy;R4 and R5 are the same or different and each represents hydrogen, hydroxyl, amino, halogen, mercapto, alkyl, haloalkyl, alkoxy, alkoxycarbonyl or alkylthio;X represents hydrogen, hydroxyl, halogen, alkoxy or haloalkoxy; andY represents an optionally substituted alkyl, cycloalkyl, heterocyclyl, aryl, cycloalkylalkyl, heterocyclylalkyl or aralkyl group.

  新化合物具有以下式（I）的结构，其药学上可接受的盐和酯可以调节LXR功能，从而表现出优秀的抗动脉粥样硬化和抗炎活性：其中：A代表芳基或杂环芳基；R1、R2和R3相同或不同，每个代表氢、羟基、硝基、氰基、氨基、卤素、羧基、氨基甲酰基、巯基、烷基、卤代烷基、烷基羰氧基、烷氧基、烷硫基、烷磺基、烷基氨基、二烷基氨基、烷基羰基氨基、N-（烷基羰基）-N-（烷基）氨基、烷氧羰基氨基、N-（烷氧羰基）-N-（烷基）氨基、烷磺酰氨基、N-（烷磺酰基）-N-（烷基）氨基、卤代烷基磺酰氨基、N-（卤代烷基磺酰基）-N-（烷基）氨基、烷基羰基、烷氧羰基、烷基氨基羰基或二烷基氨基羰基，或R1和R2一起是亚烷二氧基；R4和R5相同或不同，每个代表氢、羟基、氨基、卤素、巯基、烷基、卤代烷基、烷氧基、烷氧羰基或烷硫基；X代表氢、羟基、卤素、烷氧基或卤代烷氧基；Y代表可选择取代的烷基、环烷基、杂环烷基、芳基、环烷基烷基、杂环烷基烷基或芳基烷基。
• CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME
  申请人：YAMADA Shinya

  公开号：US20120136176A1

  公开（公告）日：2012-05-31

  The present invention provides a catalyst used for manufacturing an optically active carbonyl compound by selective asymmetric hydrogenation of an α,β-unsaturated carbonyl compound, which is insoluble in a reaction mixture, and a method for manufacturing the corresponding optically active carbonyl compound. Particularly, the invention provides a catalyst for obtaining an optically active citronellal useful as a flavor or fragrance, by selective asymmetric hydrogenation of citral, geranial or neral. The invention relates to a catalyst for asymmetric hydrogenation of an α,β-unsaturated carbonyl compound, which comprises: a powder of at least one metal selected from metals belonging to Group 8 to Group 10 of the Periodic Table, or a metal-supported substance in which the at least one metal is supported on a support; an optically active peptide compound; and an acid, and also relates to a method for manufacturing an optically active carbonyl compound using the same.

  本发明提供了一种用于通过选择性不对称加氢α，β-不饱和羰基化合物制备光学活性羰基化合物的催化剂，该催化剂在反应混合物中不溶解，并提供了制备相应光学活性羰基化合物的方法。特别地，该发明提供了一种催化剂，通过选择性不对称加氢柠檬醛、香叶醛或柠檬醛制备出用作香料或芳香剂的光学活性香茅醛。该发明涉及一种用于不对称加氢α，β-不饱和羰基化合物的催化剂，包括：来自周期表第8至第10族金属中至少一种金属的粉末，或者至少一种金属负载物质，其中至少一种金属负载在一种载体上；一种光学活性肽化合物；和一种酸，还涉及使用该催化剂制备光学活性羰基化合物的方法。
• ZINC COMPLEX
  申请人：TAKASAGO INTERNATIONAL CORPORATION

  公开号：US20160002268A1

  公开（公告）日：2016-01-07

  A zinc complex characterized in exhibiting an octahedral structure and being configured from repeating units represented by general formula (I): wherein L represents a linker region, and R 1 represents a C1-4 alkyl group, which can have a halogen atom.

  一个锌配合物，其特征在于展现八面体结构，并由以下通式(I)表示的重复单元构成：其中L代表连接区域，R1代表一个C1-4烷基基团，该烷基基团可以含有一个卤素原子。
• Process for production of amines
  申请人：Terada Masahiro

  公开号：US20070142639A1

  公开（公告）日：2007-06-21

  A process for producing an amine which is characterized by reacting an imine with a nucleophilic compound (except a trialkylsilyl vinyl ether) in the presence of a phosphoric acid derivative represented by the formula (1): wherein A 1 represents a spacer; X 1 and X 2 represent each independently a divalent nonmetal atom or a divalent nonmetal atomic group; and Y 1 is oxygen or sulfur. The invention provides a process by which amines (particularly optically active amines) useful as intermediates of medicines, agricultural chemicals, or the like can be produced without special post-treatment in high yield at high optical purity; and phosphoric acid derivatives (particularly optically active phosphoric acid derivatives) useful in the production of the amines.

  一种生产胺的方法，其特征在于在式（1）所代表的磷酸衍生物存在下，将亚胺与一种亲核化合物（三烷基硅基乙烯醚除外）反应： 其中A1代表一个间隔物；X1和X2分别独立表示二价非金属原子或二价非金属原子团；Y1为氧或硫。该发明提供了一种方法，通过该方法，可以在高光学纯度下高产率地生产用作药品、农药等中间体的胺（特别是光学活性胺），而无需进行特殊的后处理；以及用于生产这些胺的磷酸衍生物（特别是光学活性磷酸衍生物）。
• BIS-PHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING THE SAME
  申请人：Terada Masahiro

  公开号：US20120330038A1

  公开（公告）日：2012-12-27

  A novel bis-phosphate compound is provided which can be applied to a wide range of reactive substrates and reactions as an asymmetric reaction catalyst and can realize an asymmetric reaction affording a high yield and a high enantiomeric excess. The bis-phosphate compound has a tetraaryl skeleton represented by General Formula (1). In an asymmetric reaction, an amidodiene and an unsaturated aldehyde compound are reacted with each other in the presence of the optically active bis-phosphate compound to give an optically active amidoaldehyde. The invention allows a reaction such as an asymmetric Diels-Alder reaction to proceed efficiently, which has been difficult with conventional mono-phosphate compounds. Thus, the invention enables an industrially feasible method for the production of optically active amidoaldehydes, optically active β-amino acid derivatives, optically active diamine compounds, optically active pyrrolidine derivatives and optically active dihydropyran derivatives which are useful as products such as medicines, agricultural chemicals and chemical products as well as synthesis intermediates for such products.

  提供了一种新型的双磷酸盐化合物，可应用于广泛的反应底物和反应作为不对称反应催化剂，并且可以实现产率高和对映体过量高的不对称反应。该双磷酸盐化合物具有由通用式（1）表示的四芳基骨架。在不对称反应中，存在光学活性的双磷酸盐化合物的情况下，通过使酰胺二烯和不饱和醛化合物相互反应，得到光学活性的酰胺醛。该发明使得像不对称Diels-Alder反应这样的反应能够高效进行，而传统的单磷酸盐化合物很难实现。因此，该发明实现了一种工业上可行的方法，用于生产用作药品、农药和化工产品以及用于这些产品的合成中间体的光学活性酰胺醛、光学活性β-氨基酸衍生物、光学活性二胺化合物、光学活性吡咯烷衍生物和光学活性二氢吡喃衍生物。