1-Cyclohexyl-1.2-diaminoaethan | 150512-62-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-Cyclohexyl-1.2-diaminoaethan
• 英文别名: 1-Cyclohexyl-1.2-diaminoethane；1-Cyclohexylethane-1,2-diamine
• CAS: 150512-62-2
• 化学式: C₈H₁₈N₂
• 分子量: 142.244
• InChiKey: ZGITYUSQHMGSRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• [EN] PARACYCLOPHANE-BASED LIGANDS, THEIR PREPARATION AND USE IN CATALYSIS<br/>[FR] LIGANDS À BASE DE PARACYCLOPHANE, PRÉPARATION DE CEUX-CI ET UTILISATION DANS UNE CATALYSE
  申请人：JOHNSON MATTHEY PLC

  公开号：WO2009027729A1

  公开（公告）日：2009-03-05

  A substituted paracyclophane is described of formula (I) wherein X1 and X2 are linking groups comprising between 2 to 4 carbon atoms, Y1 and Y2 are selected from the group consisting of hydrogen, halide, oxygen, nitrogen, alkyl, cycloalkyl, aryl or heteroaryl and Z is a substituted or unsubstituted alkyl group, aryl group or heteroaryl group. Preferably X1 and X2 are -(C2H4)- and Z is a substituted aryl group. The substituted paracyclophane provides transition metal catalysts that are useful in C-C and C-N bond formation and asymmetric hydrogenation reactions.

  描述了一种代换的对环辛苯，其化学式为（I），其中X1和X2是含有2到4个碳原子的连接基团，Y1和Y2从氢、卤素、氧、氮、烷基、环烷基、芳基或杂环芳基中选择，Z是一个取代或未取代的烷基基团、芳基或杂环芳基。最好X1和X2是-(C2H4)-，Z是一个取代的芳基。这种代换的对环辛苯提供了在C-C和C-N键形成以及不对称氢化反应中有用的过渡金属催化剂。
• [DE] CYCLOHEXYL-HARNSTOFF-DERIVATE<br/>[EN] CYCLOHEXYLUREA DERIVATIVES<br/>[FR] DERIVES DE CYCLOHEXYLUREE
  申请人：GRUENENTHAL GMBH

  公开号：WO2004043909A1

  公开（公告）日：2004-05-27

  Die vorliegende Erfindung betrifft Cyclohexyl-Harnstoff-Derivate, Verfahren zu deren Herstellung, Arzneimittel enthaltend diese Verbindungen und die Verwendung von Cyclohexyl-Harnstoff-Derivaten zur Herstellung von Arzneimitteln.

  这项发明涉及环己基脲衍生物，其制备方法，含有这些化合物的药物以及环己基脲衍生物用于制备药物的用途。
• [EN] LIGANDS<br/>[FR] LIGANDS
  申请人：JOHNSON MATTHEY PLC

  公开号：WO2004111065A1

  公开（公告）日：2004-12-23

  A substituted paracyclophane is described of formula (I) wherein Xl and X2 are linking groups comprising between 2 to 4 carbon atoms, Y1 and Y2 are selected from the group consisting of hydrogen, halide, oxygen, nitrogen, alkyl, cycloalkyl , aryl or heteroaryl, Z1, Z2 and Z3 are substituting groups that optionally contain functional groups, a, b, c, d, e and f are 0 or l and a + b + c + d + e + f = 1 to 6. PreferablyX1 and X2 are -(C2H4)- and a + b + c + d + e + f = 1 or 2. The substituted paracyclophane provides transition metal catalysts that demonstrate high activity and selectivity for asymmetric reactions.

  描述了一种具有以下式（I）的取代对环戊烷，其中X1和X2是包含2到4个碳原子的连接基团，Y1和Y2选自氢、卤素、氧、氮、烷基、环烷基、芳基或杂环芳基，Z1、Z2和Z3是可选地含有官能团的取代基团，a、b、c、d、e和f为0或1，且a + b + c + d + e + f = 1到6。最好X1和X2为-(C2H4)-，且a + b + c + d + e + f = 1或2。这种取代对环戊烷提供了过渡金属催化剂，表现出对不对称反应具有高活性和选择性。
• [EN] PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS<br/>[FR] PROCEDE DE PRODUCTION D'ACIDES 3-(4-HYDROXYPHENYL)PROPIONIQUES OPTIQUEMENT ACTIFS
  申请人：TAKASAGO PERFUMERY CO LTD

  公开号：WO2005051882A1

  公开（公告）日：2005-06-09

  The present invention relates to a process for producing an optically active 3-(4-hydroxyphenyl)propionic acid useful as intermediates for medicines, through short steps in good yield and with high optical purity. More specifically, the present invention relates to a process for producing an optically active 3-(4-hydroxyphenyl)propionic acid of the formula (6): wherein R2 is an alkyl group; R5 to R8 are each independently a hydrogen atom or a substituent; and the symbol * is an chiral carbon atom, or a salt thereof, which comprises reacting a benzaldehyde of the formula (1): wherein R1 is a protective group; and R5 to R8 are each the same as defined above, with a glycolic acid derivative of the formula (2): wherein R3 is a hydrocarbon group; and R2 is the same as defined above, hydrolyzing the resulting product to give a cinnamic acid of the formula (4): wherein R1, R2 and R5 to R8 are each the same as defined above, or a salt thereof, and subjecting the resulting cinnamic acid (4) or a salt thereof to asymmetric hydrogenation to give an optically active phenylpropionic acid of the formula (5): wherein all the symbols are each the same as defined above, or a salt thereof, followed by deprotection.

  本发明涉及一种生产光学活性3-(4-羟基苯基)丙酸的工艺，作为药物中间体，通过简短的步骤、高产率和高光学纯度。更具体地，本发明涉及一种生产光学活性3-(4-羟基苯基)丙酸的工艺，其化学结构如下（6）：其中R2是烷基；R5至R8分别独立地是氢原子或取代基；符号*是一个手性碳原子，或其盐，包括将化学结构如下（1）的苯甲醛：其中R1是保护基；R5至R8分别与上述定义相同，与化学结构如下（2）的甘醇酸衍生物反应：其中R3是烃基；R2与上述定义相同，水解得到肉桂酸的产物：其中R1、R2和R5至R8分别与上述定义相同，或其盐，并将得到的肉桂酸（4）或其盐进行不对称氢化反应，得到光学活性苯丙酸的产物：其中所有符号均与上述定义相同，或其盐，随后进行去保护处理。
• Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives
  申请人：Matsumura Kazuhiko

  公开号：US20070142443A1

  公开（公告）日：2007-06-21

  The present invention relates to a process for producing amino acid derivatives such as optically active β-amino acid in short steps with good yield and high optical purity, which comprises reacting a keto acid of the formula (1): wherein R 1 is hydrogen, an optionally substituted hydrocarbon, etc.; R 2 is a spacer; and R 3 is an optionally substituted alkoxy, etc., or a salt thereof, with ammonia or an amine or a salt thereof in the presence of a chiral catalyst and in the presence or absence of an acid and/or a fluorine-containing alcohol, to give an amino acid derivative of the formula (2): wherein Q is a group formed by removing one hydrogen atom from ammonia or an amine; X′ is an acid and/or a fluorine-containing alcohol; and b is 0 or 1.

  本发明涉及一种生产氨基酸衍生物的方法，例如短步骤中产生具有良好收率和高光学纯度的光学活性β-氨基酸。该方法包括在手性催化剂的存在下，与氨或胺或其盐一起在酸和/或含氟醇的存在或缺席下反应式（1）的酮酸： 其中，R1是氢、可选取代的碳氢化合物等；R2是间隔物；R3是可选取代的烷氧基等，或其盐，以得到式（2）的氨基酸衍生物： 其中，Q是从氨或胺中去除一个氢原子形成的基团；X'是酸和/或含氟醇；b为0或1。