N,N-Diisopropylneopentylamine | 99679-15-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-Diisopropylneopentylamine
• 英文别名: N,N-Diisopropyl-2,2-dimethylpropylamin；2,2-dimethyl-N,N-di(propan-2-yl)propan-1-amine
• CAS: 99679-15-9
• 化学式: C₁₁H₂₅N
• 分子量: 171.326
• InChiKey: JJTAYKNTEAHIAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  N,N-diisopropylpivalamide 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以65%的产率得到N,N-Diisopropylneopentylamine
  参考文献：
  名称：

  三烷基胺中反转和旋转的立体动力学。N，N-二异丙基伯烷基胺的动态NMR光谱和分子力学计算研究

  摘要：

  从NMR光谱的温度依赖性，可以区分出两个分开的构象过程，并在N，N-二异丙基新戊基胺中进行了研究。高势垒的反转/旋转过程涉及叔丁基和异丙基的蚀变，而低垒势的旋转过程涉及较少的蚀变相互作用。分子力学计算有助于说明所涉及的基态构象。当新戊基被支链较少的伯烷基取代时，壁垒较小。

  DOI：

  10.1039/p29900001791

文献信息

• 1,5,6,-Substituted-2-Oxo-3-Cyano-1,6a-Diaza-Tetrahydro-Fluoranthenes as Anti-Infective Agents
  申请人：Kesteleyn Bart Rudolf Romanie

  公开号：US20080167296A1

  公开（公告）日：2008-07-10

  HIV inhibitory compounds of formula: salts and stereoisomers thereof, wherein R 1 and R 2 are hydrogen or optionally substituted C 1-10 alkyl; R 3 is n is 1, 2 or 3; R 3a is nitro, cyano, amino, halo, hydroxy, C 1-4 alkyloxy, hydroxycarbonyl, aminocarbonyl, CI 4 alkyloxycarbonyl, mono- or di(C 1-4 alkyl)aminocarbonyl, C 1-4 alkylcarbonyl, methanimidamidyl, mono- or di(C 1-4 alkyl)methanimidamidyl, N-hydroxy-methanimidamidyl or Het; or R 3 is a monocyclic or bicyclic aromatic heterocyclic ring system, wherein one, two, three or four ring members are nitrogen, oxygen and sulfur, and wherein the remaining ring members are carbon atoms; and wherein each of said heterocyclic ring systems may optionally be substituted; X is —NR 7 —, —0— or —S—; pharmaceutical compositions containing these compounds, methods for preparing these compounds and compositions.

  HIV抑制化合物的结构式：盐及其立体异构体，其中R1和R2是氢或可选择取代的C1-10烷基；R3是n为1、2或3；R3a是硝基、氰基、氨基、卤素、羟基、C1-4烷氧基、羟基羰基、氨基羰基、C1-4烷氧羰基、单取代或双取代的(C1-4烷基)氨基羰基、C1-4烷基羰基、甲酰胺基、单取代或双取代的(C1-4烷基)甲酰胺基、N-羟基甲酰胺基或Het；或R3是单环或双环芳香杂环环系统，其中一个、两个、三个或四个环成员是氮、氧和硫，其余环成员为碳原子；且每个所述杂环环系统可选择地被取代；X为-NR7-、-O-或-S-；含有这些化合物的药物组合物，制备这些化合物和组合物的方法。
• INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME
  申请人：Sircar Jagadish

  公开号：US20070238736A9

  公开（公告）日：2007-10-11

  Inhibitors of MIF are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with MIF activity. The inhibitors of MIF have the following structures: including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein n, R 1 , R 2 , R 3 , R 4 , X, and Z are as defined herein. Compositions containing an inhibitor of MIF in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了抑制MIF的抑制剂，其在治疗多种疾病方面具有用途，包括治疗与MIF活性相关的病理条件。 MIF的抑制剂具有以下结构：包括立体异构体，前药和其药学上可接受的盐，其中n，R1，R2，R3，R4，X和Z的定义如本文所述。还提供了含有MIF抑制剂和药学上可接受的载体组合的组合物，以及使用它们的方法。
• Inhibitors of macrophage migration inhibitory factor and methods for identifying the same
  申请人：Sircar Jagadish

  公开号：US20070054922A1

  公开（公告）日：2007-03-08

  Inhibitors of MIF are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with MIF activity. The inhibitors of MIF have the following structures: including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein n, R 1 , R 2 , R 3 , R 4 , X, and Z are as defined herein. Compositions containing an inhibitor of MIF in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了MIF抑制剂，对治疗多种疾病具有用处，包括治疗与MIF活性相关的病理性状况。MIF抑制剂具有以下结构，包括立体异构体、前药和其药学上可接受的盐，其中n、R1、R2、R3、R4、X和Z的定义如本文所述。还提供了含有MIF抑制剂和药学上可接受的载体组合的组合物，以及使用它们的方法。
• Chromium complex and catalyst therefrom
  申请人：Dow Global Technologies LLC

  公开号：US10981156B2

  公开（公告）日：2021-04-20

  The invention relates to oligomerization of olefins, such as ethylene, to higher olefins, such as a mixture of 1-hexene and 1-octene, using a catalyst system that comprises a) a source of chromium b) one or more activators and c) a phosphacycle-containing ligating compound. Additionally, the invention relates to a phosphacycle-containing ligating compound and a process for making said compound.

  本发明涉及使用催化剂体系将烯烃（如乙烯）低聚为高碳烯烃（如 1-己烯和 1-辛烯的混合物），该催化剂体系包括 a) 铬源 b) 一种或多种活化剂和 c) 含磷环连接化合物。此外，本发明还涉及一种含磷环的连接化合物和制造所述化合物的工艺。
• Macrocyclic compounds for treatment of medical disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US11053253B2

  公开（公告）日：2021-07-06

  Macrocyclic Complement Factor D inhibitors, pharmaceutical compositions, and uses thereof, as well as processes for their manufacture are provided. The compounds provided include Formula I, Formula II, Formula III, Formula IV, Formula V, Formula VI, Formula VII, and Formula VIII or a pharmaceutically acceptable salt, prodrug, isotopic analog, N-oxide, or isolated isomer thereof, optionally in a pharmaceutically acceptable composition. The inhibitors described herein target Factor D and inhibit or regulate the complement cascade.

  本发明提供了大环补体因子 D 抑制剂、药物组合物及其用途以及制造工艺。所提供的化合物包括式I、式II、式III、式IV、式V、式VI、式VII和式VIII或其药学上可接受的盐、原药、同位素类似物、N-氧化物或分离异构体，可选药学上可接受的组合物。本文所述的抑制剂以因子 D 为靶点，抑制或调节补体级联。