N-pyrimidinyl-3-piperidinone | 942945-32-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-pyrimidinyl-3-piperidinone
• 英文别名: N-pyrimidyl-3-piperidinone；1-(Pyrimidin-2-yl)piperidin-3-one；1-pyrimidin-2-ylpiperidin-3-one
• CAS: 942945-32-6
• 化学式: C₉H₁₁N₃O
• 分子量: 177.206
• InChiKey: BBQBMJBXNQEJEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  46.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-pyrimidinyl-3-piperidinone 在 Almag CRED A₂₀₁ 、 NADP 、 glucose dehydrogenase 作用下， 以 水 、 二甲基亚砜 为溶剂， 以39%的产率得到(R)-1-(pyrimidin-2-yl)piperidin-3-ol
  参考文献：
  名称：

  Preparative access to medicinal chemistry related chiral alcohols using carbonyl reductase technology

  摘要：

  Libraries of highly enantioenriched secondary alcohols in both enantiomeric forms were synthesised by enzymatic reduction of their parent ketones using selectAZyme (TM) carbonyl reductase (CRED) technology. Commercially available CREDs were able to reduce a range of substrate classes efficiently and with very high enantioselectivity. Matching substrate classes to small subsets of CREDs enabled the fast development of preparative bioreductions and the rapid generation of 100-1500 mg samples of chiral alcohols in typically >95% ee and the majority in >= 99.0% ee. The conditions for small scale synthesis were then scaled up to 0.5 kg to deliver one of the chiral alcohols, (S)-1-(4-bromophenyl)-2-chloroethanol, in 99.8% ee and 91% isolated yield. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2013.09.015

文献信息

• 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors
  申请人：Xue Chu-Biao

  公开号：US20070149532A1

  公开（公告）日：2007-06-28

  The present invention is directed to compounds of Formula I: I which are modulators of chemokine receptors. The compounds of the invention, and compositions thereof, are useful in the treatment of diseases related to chemokine receptor expression and/or activity.

  本发明涉及化合物I的化合物：I，这些化合物是趋化因子受体的调节剂。本发明的化合物及其组合物在治疗与趋化因子受体表达和/或活性相关的疾病方面是有用的。
• PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL
  申请人：KANTO DENKA KOGYO CO., LTD.

  公开号：US20190169107A1

  公开（公告）日：2019-06-06

  A simple production process is provided of a perfluoroalkyl compound that uses monohydroperfluoroalkane as a starting material, the perfluoroalkyl compound being an important intermediate of organic electronic materials, medicine, agricultural chemicals, functional polymer materials and the like. With monohydroperfluoroalkane is reacted a base and then a carbonyl compound to produce an alcohol having a perfluoroalkyl group. For example, potassium hydroxide is made to interact with trifluoromethane, and a reaction with a carbonyl compound is induced to produce an alcohol having a trifluoromethyl group.

  提供了一种简单的生产过程，使用单羟基全氟烷作为起始物质来制备全氟烷基化合物，该全氟烷基化合物是有机电子材料、药物、农药、功能性聚合物材料等的重要中间体。使用单羟基全氟烷与碱反应，再与羰基化合物反应，可以产生具有全氟烷基的醇。例如，可以将氢氧化钾与三氟甲烷相互作用，并诱导与羰基化合物反应，以产生具有三氟甲基基团的醇。
• 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS
  申请人：Xue Chu-Biao

  公开号：US20100203039A1

  公开（公告）日：2010-08-12

  The present invention is directed to compounds of Formula I: which are modulators of chemokine receptors. The compounds of the invention, and compositions thereof, are useful in the treatment of diseases related to chemokine receptor expression and/or activity.

  本发明涉及化合物I的调节剂，其是趋化因子受体的调节剂。本发明的化合物及其组合物在治疗与趋化因子受体表达和/或活性相关的疾病方面是有用的。
• METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL
  申请人：Kanto Denka Kogyo Co., Ltd.

  公开号：EP3495341A1

  公开（公告）日：2019-06-12

  A simple production process is provided of a perfluoroalkyl compound that uses monohydroperfluoroalkane as a starting material, the perfluoroalkyl compound being an important intermediate of organic electronic materials, medicine, agricultural chemicals, functional polymer materials and the like. With monohydroperfluoroalkane is reacted a base and then a carbonyl compound to produce an alcohol having a perfluoroalkyl group. For example, potassium hydroxide is made to interact with trifluoromethane, and a reaction with a carbonyl compound is induced to produce an alcohol having a trifluoromethyl group.

  提供了一种以单氢全氟烷烃为起始原料的全氟烷基化合物的简单生产工艺，全氟烷基化合物是有机电子材料、医药、农药、功能聚合物材料等的重要中间体。将单氢全氟烷烃与碱反应，然后与羰基化合物反应，生成具有全氟烷基的醇。例如，氢氧化钾与三氟甲烷发生作用，然后与羰基化合物发生反应，生成具有三氟甲基的醇。
• Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material
  申请人：KANTO DENKA KOGYO CO., LTD.

  公开号：US10450253B2

  公开（公告）日：2019-10-22

  A simple production process is provided of a perfluoroalkyl compound that uses monohydroperfluoroalkane as a starting material, the perfluoroalkyl compound being an important intermediate of organic electronic materials, medicine, agricultural chemicals, functional polymer materials and the like. With monohydroperfluoroalkane is reacted a base and then a carbonyl compound to produce an alcohol having a perfluoroalkyl group. For example, potassium hydroxide is made to interact with trifluoromethane, and a reaction with a carbonyl compound is induced to produce an alcohol having a trifluoromethyl group.

  提供了一种以单氢全氟烷烃为起始原料的全氟烷基化合物的简单生产工艺，全氟烷基化合物是有机电子材料、医药、农药、功能聚合物材料等的重要中间体。将单氢全氟烷烃与碱反应，然后与羰基化合物反应，生成具有全氟烷基的醇。例如，氢氧化钾与三氟甲烷发生作用，然后与羰基化合物发生反应，生成具有三氟甲基的醇。