2-(benzylamino)-1-(4-fluorophenyl)ethanol | 920796-72-1

• 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: 2-(benzylamino)-1-(4-fluorophenyl)ethanol
• 英文别名: 1-(4-fluorophenyl)-2-(benzylamino)ethanol；2-(Benzylamino)-1-(4-fluorophenyl)ethan-1-ol
• CAS: 920796-72-1
• 化学式: C₁₅H₁₆FNO
• 分子量: 245.297
• InChiKey: KKOSEYACVNUUPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(benzylamino)-1-(4-fluorophenyl)ethanol 在 aluminum (III) chloride 、 potassium tert-butylate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 4-benzyl-2-(4-fluorophenyl)morpholine-5,5-d2
  参考文献：
  名称：

  WO2023/78392

  摘要：

  公开号：
• 作为产物：
  描述：

  (2-bromo-1-(4-fluorophenyl)ethyl)dimethylsulfonium bromide 在 scandium tris(trifluoromethanesulfonate) 作用下， 以 水 、 1,2-二氯乙烷 为溶剂， 生成 2-(benzylamino)-1-(4-fluorophenyl)ethanol
  参考文献：
  名称：

  三氟甲磺酸（III）介导氮丙啶的分子内环扩展：直接获得4-芳基四氢异喹啉

  摘要：

  通过使用三氟甲磺酸scan（III）介导的氮丙啶的分子内环扩展，已经开发了新颖的，高产率的4-取代的四氢异喹啉的简便合成方法。所述元生成在苯环便于在原位的捕集取代的给电子基团的苄基碳正离子阳离子导致四氢异喹啉的形成。

  DOI：

  10.1016/j.tetlet.2014.10.047

文献信息

• NOVEL BISPHOSPHINE LIGAND
  申请人：WATANABE Michimasa

  公开号：US20080242534A1

  公开（公告）日：2008-10-02

  A compound represented by the following general formula (I): [wherein R 1 represents hydrogen atom, or an alkyl group, R 2 represents a hydroxyalkyl group, or a triarylmethyloxyalkyl group, or R 1 and R 2 combine together to represent —C(R 3 )(R 4 )— (R 3 and R 4 represent hydrogen atom, an alkyl group, or hydroxyl group, or R 3 and R 4 may combine together to represent oxo group), or —C(R 5 )(R 6 )—O—C(R 7 )(R 8 )— (R 5 to R 8 represent hydrogen atom, an alkyl group, or hydroxyl group, or R 5 and R 6 may combine together to represent oxo group, and R 7 and R 8 may combine together to represent oxo group); Ar 1 to Ar 4 independently represent an aryl group (the aryl group may have 1 to 5 of the same or different substituents), *1 to *4 indicate asymmetric carbons, and configurations are cis between *1 and *2, cis between *3 and *4, and trans between *2 and *3]. An optically active phosphine ligand which can be easily synthesized and gives a transition metal complex showing superior asymmetric catalyst activity is provided.

  提供了一个由以下一般式（I）表示的化合物：【其中R1代表氢原子，或烷基团，R2代表羟基烷基团，或三芳基甲氧基烷基团，或R1和R2结合在一起表示—C(R3)(R4)—（R3和R4代表氢原子，烷基团，或羟基，或R3和R4可以结合在一起表示酮基），或—C(R5)(R6)—O—C(R7)(R8)—（R5到R8代表氢原子，烷基团，或羟基，或R5和R6可以结合在一起表示酮基，R7和R8可以结合在一起表示酮基）；Ar1到Ar4独立地代表芳基（芳基可能具有1到5个相同或不同的取代基），*1到*4表示不对称碳，配置在*1和*2之间为顺式，*3和*4之间为顺式，*2和*3之间为反式】。提供了一种可以轻松合成并给出显示出优越不对称催化剂活性的过渡金属配合物的光学活性膦配体。
• INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF
  申请人：OKUYAMA Masahiro

  公开号：US20110251385A1

  公开（公告）日：2011-10-13

  The present invention relates to a production method of an optically active morpholine compound represented by the formula 10, which includes the following steps: wherein each symbol is as defined in the specification. The present invention also relates to a production method of an compound represented by the formula 55, which includes the following steps: wherein each symbol is as defined in the specification. According to the production method of the present invention, an optically active 2-aryl-substituted morpholine compound and 3-oxo-3-(pyrimidin-4-yl)propionate, which are important as starting materials for synthesizing 2-(2-arylmorpholin-4-yl)-1-methyl-1H-[4,4′]bipyrimidinyl-6-one having a tau protein kinase 1 inhibitory activity and useful as a therapeutic drug for Alzheimer's disease and the like, can be produced in a high yield by an industrially advantageous method.

  本发明涉及一种光学活性吗啉化合物的生产方法，其由公式10表示，包括以下步骤：其中每个符号如规范中所定义。本发明还涉及一种由公式55表示的化合物的生产方法，其包括以下步骤：其中每个符号如规范中所定义。根据本发明的生产方法，可以通过一种工业上有利的方法高产地生产重要的起始材料，即光学活性2-芳基取代吗啉化合物和3-氧代-3-(嘧啶-4-基)丙酸酯，用于合成具有tau蛋白激酶1抑制活性的2-(2-芳基吗啉-4-基)-1-甲基-1H-[4,4′]联吡啶基-6-酮，该化合物对阿尔茨海默病等有用作用的治疗药物。
• Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP2221304A1

  公开（公告）日：2010-08-25

  Provided is a method for synthesizing an optically active compound represented by the formula (1) wherein R is an aryl optionally having substituent(s) or a heteroaryl optionally having substituent(s), and a carbon atom marked with * is an asymmetric carbon atom; which comprises synthesizing an optically active morpholine compound represented by the formula 10' which in turn comprises the following steps: wherein R is an aryl optionally having substituents(s) or a heteroaryl optionally having substituent(s), R1 is a C1-C6 alkyl, an aralkyl optionally having substituent(s) or a C2-C6 alkenyl, R2 is a C1-C6 alkyl, a C1-C6 haloalkyl, an aryl optionally having substituent(s) or a benzyl optionally having substituent(s) and X2 is a halogen; reacting a compound of the formula 5' with an activated chloroacetic acid or bromoacetic acid in a solvent to give a compound of the formula 6', reacting the compound of the formula 6' with a base to give a compound of the formula 7', reacting the compound of the formula 7' with a reducing agent in a solvent to give a compound of the formula 8', reacting the compound of the formula 8' with a chloroformate to give a compound of the formula 9' and subjecting the compound of the formula 9' to hydrolysis to give the compound of the formula 10'.

  提供了一种合成由式（1）表示的光学活性化合物的方法 其中 R 是可选具有取代基的芳基或可选具有取代基的杂芳基，标有 * 的碳原子是不对称碳原子；该方法包括合成由式 10'代表的具有光学活性的吗啉化合物，该方法又包括以下步骤： 其中 R 是任选具有取代基的芳基或任选具有取代基的杂芳基，R1 是 C1-C6 烷基、任选具有取代基的芳烷基或 C2-C6 烯基，R2 是 C1-C6 烷基、C1-C6 卤代烷基、任选具有取代基的芳基或任选具有取代基的苄基，X2 是卤素；将式 5'化合物与活化的氯乙酸或溴乙酸在溶剂中反应，得到式 6'化合物，将式 6'化合物与碱反应，得到式 7'化合物，将式 7'化合物与还原剂在溶剂中反应，得到式 8'化合物，将式 8'化合物与氯甲酸酯反应，得到式 9'化合物，以及 将式 9'化合物进行水解，得到式 10'化合物。
• WO2007/11065
  申请人：——

  公开号：——

  公开（公告）日：——
• Bisphosphine ligands for asymmetric syntheses
  申请人：Daiichi Fine Chemical Co., Ltd.

  公开号：EP1975170B1

  公开（公告）日：2011-03-09