N-(2-hydroxyethyl)cyclohexanecarboxamide | 23054-48-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(2-hydroxyethyl)cyclohexanecarboxamide
• CAS: 23054-48-0
• 化学式: C₉H₁₇NO₂
• mdl: MFCD02674250
• 分子量: 171.239
• InChiKey: ZZISDKBMXAZCIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  N-(2-hydroxyethyl)cyclohexanecarboxamide 在 aluminum oxide 作用下， 400.0 ℃ 、1.33 kPa 条件下， 生成 2-环己基-2-恶唑啉
  参考文献：
  名称：

  Seeliger,W. et al., Angewandte Chemie, 1966, vol. 78, # 20, p. 913 - 927

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 、 镍 作用下， 100.0 ℃ 、34.32 MPa 条件下， 生成 N-(2-hydroxyethyl)cyclohexanecarboxamide
  参考文献：
  名称：

  The Hydrogenation of Esters to Alcohols at 25-150°

  摘要：

  DOI：

  10.1021/ja01189a085

文献信息

• Synthesis of Aliphatic Amides through a Photoredox Catalyzed Radical Carbonylation Involving Organosilicates as Alkyl Radical Precursors
  作者：Alex Cartier、Etienne Levernier、Anne‐Lise Dhimane、Takahide Fukuyama、Cyril Ollivier、Ilhyong Ryu、Louis Fensterbank

  DOI：10.1002/adsc.202000314

  日期：2020.5.26

  Alkyl radicals, from primary to tertiary, formed by photocatalyzed oxidation of organosilicates, are involved efficiently in radical carbonylation with carbon monoxide (CO), in the presence of various amines and CCl4, leading to a variety of amides in moderate to good yields.

  在各种胺和CCl 4的存在下，通过有机硅酸盐的光催化氧化形成的伯基到伯基的烷基有效地参与一氧化碳（CO）的自由基羰基化反应，从而以中等至良好的收率生成了各种酰胺。
• Tandem Photoredox Catalysis: Enabling Carbonylative Amidation of Aryl and Alkylhalides
  作者：José A. Forni、Nenad Micic、Timothy U. Connell、Geethika Weragoda、Anastasios Polyzos

  DOI：10.1002/anie.202006720

  日期：2020.10.12

  visible‐light‐mediated carbonylative amidation of aryl, heteroaryl, and alkyl halides. A tandem catalytic cycle of [Ir(ppy)2(dtb‐bpy)]+ generates a potent iridium photoreductant through a second catalytic cycle in the presence of DIPEA, which productively engages aryl bromides, iodides, and even chlorides as well as primary, secondary, and tertiary alkyl iodides. The versatile in situ generated catalyst is compatible

  我们报告了一种新的可见光介导的芳基，杂芳基和烷基卤化物的羰基酰胺化反应。串联的[Ir（ppy）2（dtb-bpy）] +催化循环在DIPEA存在的情况下通过第二个催化循环产生强力的铱光还原剂，该反应性地使芳基溴化物，碘化物，甚至氯化物与伯，仲和叔烷基碘。这种多功能的原位生成的催化剂可与脂族和芳族胺兼容，具有很高的官能团耐受性，并能使复杂的天然产物后期酰胺化。
• Zinc-Catalyzed Amide Cleavage and Esterification of β-Hydroxyethylamides
  作者：Yusuke Kita、Yuji Nishii、Takafumi Higuchi、Kazushi Mashima

  DOI：10.1002/anie.201201789

  日期：2012.6.4

  Snipping tool: Zn(OTf)2 is an efficient catalyst for selective cleavage of amides bearing a β‐hydroxyethyl group on the nitrogen atom. The mechanism involves an N,O‐acyl rearrangement and transesterification. This new catalytic system can be applied to sequence‐specific peptide bond scission at the amine side of a serine residue. Tf=trifluoromethanesulfonyl.

  剪切工具：Zn（OTf）2是一种有效的催化剂，用于选择性裂解氮原子上带有β-羟乙基的酰胺。该机制涉及N，O-酰基重排和酯交换。这种新的催化系统可用于丝氨酸残基胺侧的序列特异性肽键断裂。Tf ＝三氟甲磺酰基。
• DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF
  申请人：Cholody Wieslaw M.

  公开号：US20100137354A1

  公开（公告）日：2010-06-03

  Chemical agents, such as disulfonamide derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine, and similar heterocyclic ring structures, including salts thereof, that act as anti-cancer and anti-tumor agents, especially where such agents modulate the activity of the Wnt/β-catenin signaling pathway, and serve to reduce β-catenin levels present in cells, such as cancer cells, or where the agents modulate levels of gene expression in cellular systems, including cancer cells, are disclosed, along with methods for preparing such agents, as well as pharmaceutical compositions containing such agents as active ingredients and methods of using these as therapeutic agents.

  本发明涉及化学剂，例如荧光烯，蒽，三苯甲烷和吖啶的二磺酰胺衍生物，以及类似的杂环环结构及其盐，这些化学剂作为抗癌和抗肿瘤剂，特别是当这些剂调节Wnt/β-连环蛋白信号通路的活性时，并能降低β-连环蛋白在细胞中（如癌细胞）的水平，或当这些剂调节细胞系统（包括癌细胞）的基因表达水平时。此外，本发明还揭示了制备这些化学剂的方法，以及包含这些化学剂作为活性成分的制药组合物和使用它们作为治疗剂的方法。
• Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals
  申请人：SANOFI

  公开号：US20160016928A1

  公开（公告）日：2016-01-21

  The present invention relates to substituted chroman-6-yloxy-cycloalkanes of the formula (I) in which Ar, R1 to R4, p and q are as defined in the claims. The compounds of the formula (I) are inhibitors of the sodium-calcium exchanger (NCX), especially of the sodium-calcium exchanger of subtype 1 (NCX1), and are suitable for the treatment of diverse disorders in which intracellular calcium homeostasis is disturbed, such as arrhythmias, heart failure and stroke. The invention furthermore relates to processes for the preparation of the compounds of the formula (I), their use as pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及式(I)中的取代的色甘醇-6-氧基环烷烃，其中Ar，R1至R4，p和q如权利要求中所定义。式(I)化合物是钠钙交换器（NCX）的抑制剂，特别是钠钙交换器的亚型1（NCX1），适用于治疗各种细胞内钙平衡紊乱的疾病，如心律失常、心力衰竭和中风。本发明还涉及制备式(I)化合物的方法，它们作为药物的使用以及包含它们的制药组合物。