Methyl N-sec-butylcarbamate | 39076-02-3

• 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: Methyl N-sec-butylcarbamate
• 英文别名: carbonic acid methyl ester-dl-sec-butylamide；N-(dl-sek.-Butyl)-carbamidsaeure-methylester；Kohlensaeure-methylester-dl-sek.-butylamid；N-(dl-sek.-Butyl)-urethylan；(1-methylpropyl)-carbamic acid, methyl ester；methyl N-sec.-butyl-carbamate；Methyl sec-butylcarbamate；methyl N-butan-2-ylcarbamate
• CAS: 39076-02-3
• 化学式: C₆H₁₃NO₂
• mdl: MFCD01249374
• 分子量: 131.175
• InChiKey: OZXBLDXVIIDKNA-UHFFFAOYSA-N

物化性质

• 熔点：
  38.5°C (estimate)
• 沸点：
  217.35°C (estimate)
• 密度：
  0.9651

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Methyl N-sec-butylcarbamate 在 硝酸 作用下， 以 溶剂黄146 为溶剂， 生成 Methyl-N-nitro-N-sec-butyl-carbamat
  参考文献：
  名称：

  N-Nitroamides and N-Nitrocarbamates. III. Rotational Isomerism, Steric Effects, and Physical Properties at Low Temperatures¹

  摘要：

  DOI：

  10.1021/jo01347a067
• 作为产物：
  描述：

  仲丁胺 生成 Methyl N-sec-butylcarbamate
  参考文献：
  名称：

  SHONO, TATSUYA;MATSUMURA, YOSHIHIRO;KASHIMURA, SHIGENORI, J. ORG. CHEM., 1983, 48, N 19, 3338-3340

  摘要：

  DOI：

文献信息

• Processes and intermediates
  申请人：Tanoury J. Gerald

  公开号：US20070087973A1

  公开（公告）日：2007-04-19

  The invention relates to compounds and processes useful for the preparation of protease inhibitors, particularly serine protease inhibitors. The protease inhibitors are useful for treatment of HCV infections.

  这项发明涉及到化合物和工艺，用于制备蛋白酶抑制剂，特别是丝氨酸蛋白酶抑制剂。这些蛋白酶抑制剂对治疗HCV感染很有用。
• THE HOFMANN REARRANGEMENT INDUCED BY ELECTROORGANIC METHOD
  作者：Tatsuya Shono、Yoshihiro Matsumura、Shin-ichiro Yamane、Shigenori Kashimura

  DOI：10.1246/cl.1982.565

  日期：1982.4.5

  The Hofmann rearrangement has been induced by the electroorganic method using potassium bromide as a mediator, of which role in the reaction is really catalytic.

  霍夫曼重排是通过使用溴化钾作为介体的有机电法诱导的，其在反应中的作用确实是催化作用。
• PROCESSES AND INTERMEDIATES
  申请人：Tanoury Gerald J.

  公开号：US20100063252A1

  公开（公告）日：2010-03-11

  The invention relates to compounds and processes useful for the preparation of protease inhibitors, particularly serine protease inhibitors. The protease inhibitors are useful for treatment of HCV infections.

  该发明涉及化合物和工艺，用于制备蛋白酶抑制剂，特别是丝氨酸蛋白酶抑制剂。这些蛋白酶抑制剂对治疗HCV感染很有用。
• Aliphatic propargylamines as selective MAO-B inhibitors and as
  申请人：University of Saskatchewan

  公开号：US05508311A1

  公开（公告）日：1996-04-16

  The invention relates to a series of propargylamines, their salts and pharmaceutical compositions containing a compound of formula (III) wherein R.sub.1, R.sub.3 and R.sub.4 are the same or different and represent hydrogen or a straight chain or branched lower alkyl; y is an integer ranging from 0 to 5; z is an integer ranging from 0 to 5; and R.sub.2 is a straight chain or branched alkyl, alkenyl, alkynyl, alkoxy, alkylthio or alkyl sulphinyl group having from 3 to 11 carbon atoms, said group being unsubstituted or substituted with at least one of the substituents selected from hydroxy, aldehyde, oxo, loweracyloxy, halogen, thio, sulfoxide, sulfone, phenyl, halogen-substituted phenyl, hydroxy-substituted phenyl, cycloalkyl having from 3 to 6 carbon atoms and heterocyclic substituents having between 3 and 6 atoms, of which form 1 to 3 are heteroatoms selected from O, S and/or N, and pharmaceutically acceptable salts thereof, in admixture with a pharmaceutically acceptable carrier, excipient or adjuvant. The compounds are useful as selective monoamine oxidase B inhibitors and have demonstrated neuroprotective properties in human and veterinary medicine.

  本发明涉及一系列丙炔胺、其盐和药物组合物，其含有公式(III)的化合物，其中R.sub.1、R.sub.3和R.sub.4相同或不同，并表示氢或直链或支链低碳基；y为0到5的整数；z为0到5的整数；R.sub.2为直链或支链烷基、烯基、炔基、烷氧基、烷硫基或烷基亚磺酰基，其具有3到11个碳原子，该基团未被取代或被取代，取代基团至少包括所选取自羟基、醛、氧代、低酰氧基、卤素、硫、亚砜、砜、苯基、卤素取代苯基、羟基取代苯基、具有3到6个碳原子的环烷基和具有3到6个原子的杂环取代基团，其中形式1到3是所选取自O、S和/或N的杂原子，以及其药学上可接受的盐，与药学上可接受的载体、赋形剂或佐剂混合。这些化合物在人类和兽医学中具有选择性单胺氧化酶B抑制剂的用途，并表现出神经保护性质。
• Inhibitors of serine proteases, particularly HCV NS3-NS4A protease
  申请人：Farmer J. Luc

  公开号：US20080045480A1

  公开（公告）日：2008-02-21

  The present invention relates to peptidomimetic compounds that inhibit serine protease activity, particularly the activity of hepatitis C virus NS3-NS4A protease. As such, they act by interfering with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The invention further relates to compositions comprising these compounds either for ex vivo use or for administration to a patient suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a patient by administering a composition comprising a compound of this invention.

  本发明涉及一种抑制丝氨酸蛋白酶活性的肽类类似物化合物，特别是抑制丙型肝炎病毒NS3-NS4A蛋白酶的活性。因此，它们通过干扰丙型肝炎病毒的生命周期来发挥作用，并且也可用作抗病毒剂。本发明还涉及包含这些化合物的组合物，无论是用于体外使用还是用于治疗患有HCV感染的患者的给药。本发明还涉及通过给予含有本发明化合物的组合物来治疗患有HCV感染的患者的方法。