tert-butyl (2-methyl-3-oxopropyl)carbamate | 842103-98-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl (2-methyl-3-oxopropyl)carbamate
• 英文别名: tert-butyl N-(2-methyl-3-oxopropyl)carbamate
• CAS: 842103-98-4
• 化学式: C₉H₁₇NO₃
• mdl: MFCD17170551
• 分子量: 187.239
• InChiKey: HTBNREYQOZPEQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl (2-methyl-3-oxopropyl)carbamate 在 四(三苯基膦)钯 、 三乙酰氧基硼氢化钠 、 caesium carbonate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 50.0h， 生成 tert-butyl (3-((2'-methoxy-[3,3'-bipyridin]-6-yl)amino)-2-methylpropyl)carbamate
  参考文献：
  名称：

  WO2020150474A5

  摘要：

  公开号：

  WO2020150474A5
• 作为产物：
  描述：

  C₁₁H₂₂N₂O₄ 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 以2.2 g的产率得到tert-butyl (2-methyl-3-oxopropyl)carbamate
  参考文献：
  名称：

  Exploring the Original Proposed Biosynthesis of (+)-Symbioimine: Remote Exocyclic Stereocontrol in a Type I IMDA Reaction

  摘要：

  The originally proposed biosynthesis of (+)-symbioimine was explored, resulting in the successful intramolecular Diels-Alder (IMDA) cyclization of an appropriate (E,E,E)-1,7,9-decatrien-3-one. In contrast to the originally proposed biosynthesis, the IMDA reaction appears to proceed via an endo transition state. Remarkably, a single exocyclic stereogenic center effectively controls the pi-facial selectivity affording a highly diastereoselective cycloaddition.

  DOI：

  10.1021/ol101141a

文献信息

• Hexahydrodiazepinones as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes
  申请人：Liang Gui-Bai

  公开号：US20060211682A1

  公开（公告）日：2006-09-21

  The present invention is directed to hexahydrodiazepinone compounds which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及六氢噻唑烷酮化合物，其是二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂，且在治疗或预防二肽基肽酶-IV酶参与的疾病，例如糖尿病和特别是2型糖尿病方面非常有用。本发明还涉及包含这些化合物的制药组合物，以及这些化合物和组合物在预防或治疗二肽基肽酶-IV酶参与的这些疾病中的使用。
• Hexahydrodiazepinones as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes
  申请人：Merck & Co., Inc.

  公开号：US07259160B2

  公开（公告）日：2007-08-21

  The present invention is directed to hexahydrodiazepinone compounds which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及六氢噻唑烷酮化合物，其为二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂，且在治疗或预防二肽基肽酶-IV酶参与的疾病，如糖尿病尤其是2型糖尿病方面有用。本发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在预防或治疗二肽基肽酶-IV酶参与的疾病方面的使用。
• L-Aminodicarboxylic acid amides of substituted amines and a composition containing the same
  申请人：GENERAL FOODS CORPORATION

  公开号：EP0203540A1

  公开（公告）日：1986-12-03

  This invention relates to novel sweeteners of the formula: wherein A is hydrogen, alkyl containing 1-3 carbon atoms, hydroxyalkyl containing 1-3 carbon atoms, alkoxymethyl wherein the alkoxy contains 1-3 carbon atoms or CO2R5 in which R5 is alkyl containing 1-3 carbon atoms; A' is hydrogen or alkyl containing 1-3 carbon atoms; A and A' taken together with the carbon atoms to which they are attached form cycloalkyl containing 3-4 carbon atoms; Y is -(CHR)n-R1, -CHR2R3 or R4; R1 is cycloalkyl, cycloalkenyl, lower alkyl substituted cycloalkyl or cycloalkenyl, bicycloalkyl, bicycloalkenyl or tricycloalkyl containing up to 10 ring carbon atoms and up to a total of 12 carbon atoms; R is H or alkyl containing 1-4 carbon atoms; R2 and R3 are each cycloalkyl containing 3-4 ring carbon atoms; R4 is alkyl containing up to 12 carbon atoms; n=0 or 1; and m=0 or 1; and food-acceptable salts thereof.

  本发明涉及式如下的新型甜味剂： 其中 A是氢、含1-3个碳原子的烷基、含1-3个碳原子的羟烷基、烷氧基甲基（其中烷氧基含1-3个碳原子）或CO2R5（其中R5是含1-3个碳原子的烷基）；A'是氢或含1-3个碳原子的烷基；A和A'与它们所连接的碳原子一起形成含3-4个碳原子的环烷基；Y是-(CHR)n-R1、-CHR2R3或R4； R1 是环烷基、环烯基、低级烷基取代的环烷基或环烯基、双环烷基、双环烯基或三环烷基，最多含有 10 个环碳原子，总共最多含有 12 个碳原子；R 是 H 或含有 1-4 个碳原子的烷基；R2 和 R3 分别是含有 3-4 个环碳原子的环烷基；R4 是含有最多 12 个碳原子的烷基；n=0 或 1；以及 m=0 或 1；及其食品可接受的盐。
• CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：EP3006438A1

  公开（公告）日：2016-04-13

  The present invention provides a cyclic aminomethyl pyrimidine derivative and a pharmaceutically acceptable salt thereof with high selectivity for dopamine D4 receptors, which are useful for treating a disease such as attention deficit hyperactivity disorder. Specifically, a compound of formula (1) or a pharmaceutically acceptable salt thereof is provided, wherein n and m are independently 1 or 2; Ra is C1-6 alkyl group, C3-6 cycloalkyl group, or amino group; Rb is hydrogen atom, C1-6 alkyl group or the like, provided that when Ra is amino group, then Rb is hydrogen atom; Rc1 and Rc2 are independently hydrogen atom, or C1-6 alkyl group; Rd1 and Rd2 are independently hydrogen atom, fluorine atom or the like; ring Q is an optionally-substituted pyridyl group or an optionally-substituted isoquinolyl group; and the bond having a dashed line is a single or double bond.

  本发明提供了一种对多巴胺D4受体具有高选择性的环氨甲基嘧啶衍生物及其药学上可接受的盐，可用于治疗注意力缺陷多动障碍等疾病。具体而言，提供了式(1)化合物或其药学上可接受的盐，其中n和m独立地为1或2；Ra为C1-6烷基、C3-6环烷基或氨基；Rb为氢原子、C1-6烷基或类似物，但当Ra为氨基时，则Rb为氢原子；Rc1 和 Rc2 独立地为氢原子或 C1-6 烷基；Rd1 和 Rd2 独立地为氢原子、氟原子或类似物；环 Q 为任选取代的吡啶基或任选取代的异喹啉基；带虚线的键为单键或双键。
• PCSK9 inhibitors and methods of use thereof
  申请人：ASTRAZENECA AB

  公开号：US11248001B2

  公开（公告）日：2022-02-15

  The invention relates to novel heteroaryl compounds of Formula (I) and pharmaceutical preparations thereof. The invention further relates to methods of treating or preventing cardiovascular diseases, and methods treating sepsis or septic shock, using the novel heterocyclic compounds disclosed herein.

  本发明涉及式（I）的新型杂芳基化合物及其药物制剂。本发明还涉及使用本文公开的新型杂环化合物治疗或预防心血管疾病的方法，以及治疗败血症或脓毒性休克的方法。