N-methoxycarbonylhexamethyleneimine | 50396-38-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: N-methoxycarbonylhexamethyleneimine
• 英文别名: N-Methoxycarbonyl-hexahydroazepin；azepane-1-carboxylic acid methyl ester；hexahydro-azepine-1-carboxylic acid methyl ester；Hexahydro-azepin-1-carbonsaeure-methylester；1H-Azepine-1-carboxylic acid, hexahydro-, methyl ester；methyl azepane-1-carboxylate
• CAS: 50396-38-8
• 化学式: C₈H₁₅NO₂
• mdl: MFCD00590580
• 分子量: 157.213
• InChiKey: CFBZKDDOUUEFLB-UHFFFAOYSA-N

物化性质

• 沸点：
  220.4±9.0 °C(Predicted)
• 密度：
  1.028±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-methoxycarbonylhexamethyleneimine 在 四氯化钛 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  A Convenient Method for Synthesis of Optically Active Methylphenidate from N-Methoxycarbonylpiperidine by Utilizing Electrochemical Oxidation and Evans Aldol-type Reaction

  摘要：

  A new method to prepare optically active methylphenidate starting from piperidine is described. The method consists of a transformation of N-methoxycarbonylated piperidine to the corresponding alpha-methoxylated carbamate utilizing electrochemical oxidation followed by the coupling reaction with optically active Evans imides to produce optically active methylphenidate derivatives with high stereoselectivity (erythrolthreo=5.3/94.7, the three isomer; 99.6%ee). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00653-0
• 作为产物：
  描述：

  黄莲素 在 甲醇 、 光气 、 甲苯 作用下， 生成 N-methoxycarbonylhexamethyleneimine
  参考文献：
  名称：

  Siefken, Justus Liebigs Annalen der Chemie, 1949, vol. 562, p. 75,1114

  摘要：

  DOI：

文献信息

• [EN] BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS<br/>[FR] COMPOSÉS AZA BICYCLIQUES SERVANT D'AGONISTES DU RÉCEPTEUR MUSCARINIQUE M1 ET/OU M4
  申请人：HEPTARES THERAPEUTICS LTD

  公开号：WO2020115505A1

  公开（公告）日：2020-06-11

  This invention relates to compounds that are agonists of the muscarinic M1 and/or M4 receptor and which are useful in the treatment of diseases mediated by the muscarinic M1 and M4 receptors. Also provided are pharmaceutical compositions containing the compounds and the therapeutic uses of the compounds. Compounds provided are of formula where X1; X2; R1 and R4 are as defined herein.

  这项发明涉及激动毒蕈碱M1和/或M4受体的化合物，这些化合物在治疗由毒蕈碱M1和M4受体介导的疾病方面是有用的。还提供了含有这些化合物的药物组合物以及这些化合物的治疗用途。提供的化合物符合以下公式：其中X1；X2；R1和R4如本文所定义。
• Direct electrochemical α-cyanation of N-protected cyclic amines
  作者：Samuel Shikuku Libendi、Yosuke Demizu、Osamu Onomura

  DOI：10.1039/b816598j

  日期：——

  α-Cyanation of N-protected cyclic amines was achieved using a direct electrochemical method. Unsubstituted N-protected cyclic amines were easily cyanated at the α-position using an undivided cell in high yields; moreover, α-cyanation of α′-substituted pyrrolidine and α′-,β′- or γ-substituted piperidines smoothly proceeded in high yield and with high to excellent diastereoselectivity. α-Substituted N-cyano-pyrrolidines and -piperidines were also cyanated at the more substituted position (the α-position) using a divided cell with high yield and high regioselectivity.

  通过直接电化学方法，实现了N-保护的环状胺的α-氰化。未取代的N-保护环状胺在无隔膜电池中易于在α位进行氰化，产率很高；此外，α'-取代的吡咯烷和α'、β'或γ-取代的哌啶也能顺利进行高产率的α-氰化，并具有高度至优异的非对映选择性。α-取代的N-氰基吡咯烷和哌啶在有隔膜电池中也能在更取代的位置（α位）进行氰化，产率高且具有高区域选择性。
• A NEW SYNTHETIC METHOD OF 1-AZABICYCLO[4.<i>n</i>.0]SYSTEMS
  作者：Tatsuya Shono、Yoshihiro Matsumura、Kenji Tsubata、Kenji Inoue、Ryoichi Nishida

  DOI：10.1246/cl.1983.21

  日期：1983.1.5

  A new method for the synthesis of bicyclic pyridinium salts from alicyclic amines and reduction of the salts to 1-azabicyclo[4.n.0]systems has been exploited.

  已经开发了一种从脂环胺合成双环吡啶鎓盐并将盐还原为 1-氮杂双环 [4.n.0] 系统的新方法。
• A Novel Electrosynthetic System for Anodic Substitution Reactions by Using Parallel Laminar Flow in a Microflow Reactor
  作者：Daisuke Horii、Fumihiro Amemiya、Toshio Fuchigami、Mahito Atobe

  DOI：10.1002/chem.200801511

  日期：2008.11.17

  developed a novel electrosynthetic system for anodic substitution reactions by using parallel laminar flow in a microflow reactor. This system enables nucleophilic reactions to overcome the restraint, such as the oxidation potential of nucleophiles and the stability of cationic intermediates, by the combined use of ionic liquids as reaction media and the parallel laminar flow in the microflow reactor. By using

  我们通过在微流反应器中使用平行层流，开发了一种用于阳极取代反应的新型电合成系统。该系统通过结合使用离子液体作为反应介质和微流反应器中的平行层流，使亲核反应克服了诸如亲核体的氧化电势和阳离子中间体的稳定性之类的限制。通过使用这种新型的电合成系统，氨基甲酸酯，尤其是环状氨基甲酸酯与烯丙基三甲基硅烷的阳极取代反应，在室温下一次流通操作中即可以中等到良好的转化率提供相应的产物（不需要低温条件）。
• Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases
  申请人：Li Yun Long

  公开号：US20080167288A1

  公开（公告）日：2008-07-10

  The present invention provides compounds of the formula: its enantiomers, diastereomers, racemic mixtures thereof, prodrugs, crystalline forms, non-crystalline forms, amorphous forms thereof, solvates thereof, metabolites thereof, and pharmaceutically acceptable salts, wherein the ring A substituent groups are fully defined in the following disclosure. The compounds of formula are inhibitors of metalloproteases such as matrix metalloproteases and sheddases, and are useful in treating diseases such as rheumatoid arthritis, psoriasis, neoplastic diseases, allergies and all those diseases wherein inhibition of MMPs is desirable.

  本发明提供了公式的化合物：其对映异构体、非对映异构体、混合物、前药、晶体形式、非晶体形式、无定形形式、溶剂化物、代谢物和药学上可接受的盐，其中环A的取代基在下面的披露中被完全定义。公式化合物是金属蛋白酶抑制剂，如基质金属蛋白酶和脱落酶，可用于治疗风湿性关节炎、银屑病、肿瘤性疾病、过敏和所有需要抑制MMP的疾病。