methyl 5-(N,N-diisopropylcarbamoyl)pentanoate | 6946-67-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 5-(N,N-diisopropylcarbamoyl)pentanoate
• 英文别名: 6-oxo-6-(diisopropylamino)-hexanoic acid methyl ester；N,N-diisopropyl-adipamic acid methyl ester；Adipinsaeure-diisopropylamid-methylester；N,N-Diisopropyl-adipamidsaeure-methylester；Methyl 6-(dipropan-2-ylamino)-6-oxohexanoate；methyl 6-[di(propan-2-yl)amino]-6-oxohexanoate
• CAS: 6946-67-4
• 化学式: C₁₃H₂₅NO₃
• 分子量: 243.346
• InChiKey: OKDBCLDDUYQSGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 5-(N,N-diisopropylcarbamoyl)pentanoate 在 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 6-chloro-N,N-di(propan-2-yl)hexan-1-amine
  参考文献：
  名称：

  Analogs of 8-[[6-(diethylamino)hexyl]amino]-6-methoxy-4-methylquinoline as candidate antileishmanial agents

  摘要：

  8-[[6-(Diethylamino)hexyl]amino]-6-methoxy-4-methylquinoline (I) has been shown to be highly effective against Leishmania donovani in hamsters, being approximately 475 times as active as the standard meglumine antimoniate. Several nuclear and side-chain analogues of I have been prepared in an attempt to further enhance the antileishmanial activity of this class of compounds. The compounds were tested against L. donovani in the golden hamster. Although several analogues had meglumine antimoniate indexes in excess of 300, none was superior to the model compound.

  DOI：

  10.1021/jm00183a004
• 作为产物：
  描述：

  脂肪酸甲酯 在 氯化亚砜 作用下， 以 苯 为溶剂， 生成 methyl 5-(N,N-diisopropylcarbamoyl)pentanoate
  参考文献：
  名称：

  Analogs of 8-[[6-(diethylamino)hexyl]amino]-6-methoxy-4-methylquinoline as candidate antileishmanial agents

  摘要：

  8-[[6-(Diethylamino)hexyl]amino]-6-methoxy-4-methylquinoline (I) has been shown to be highly effective against Leishmania donovani in hamsters, being approximately 475 times as active as the standard meglumine antimoniate. Several nuclear and side-chain analogues of I have been prepared in an attempt to further enhance the antileishmanial activity of this class of compounds. The compounds were tested against L. donovani in the golden hamster. Although several analogues had meglumine antimoniate indexes in excess of 300, none was superior to the model compound.

  DOI：

  10.1021/jm00183a004

文献信息

• Carboxamidation of carboxylic acids with 1-tert-butoxy-2-tert-butoxycarbonyl-1,2-dihydroisoquinoline (BBDI) without bases
  作者：Yukako Saito、Hidekazu Ouchi、Hiroki Takahata

  DOI：10.1016/j.tet.2008.09.094

  日期：2008.12

  Formation of carboxamides of a variety of carboxylic acids with the coupling reagent BBDI is described, This procedure permits a one pot and simple operation without the need of any bases and no base was required for even use of amine hydrochlorides. In addition, an approach to BBDI-catalyzed carboxamidation is examined. (C) 2008 Elsevier Ltd. All rights reserved.
• US2627487
  申请人：——

  公开号：——

  公开（公告）日：——
• DAGLI D.; KHAN M. S.; BLUMBERGS P., J. MED. CHEM., 1980, 23, NO 9, 981-985
  作者：DAGLI D.、 KHAN M. S.、 BLUMBERGS P.

  DOI：——

  日期：——
• Analogs of 8-[[6-(diethylamino)hexyl]amino]-6-methoxy-4-methylquinoline as candidate antileishmanial agents
  作者：Maurice P. LaMontagne、Dinesh Dagli、M. Sami Khan、Peter Blumbergs

  DOI：10.1021/jm00183a004

  日期：1980.9

  8-[[6-(Diethylamino)hexyl]amino]-6-methoxy-4-methylquinoline (I) has been shown to be highly effective against Leishmania donovani in hamsters, being approximately 475 times as active as the standard meglumine antimoniate. Several nuclear and side-chain analogues of I have been prepared in an attempt to further enhance the antileishmanial activity of this class of compounds. The compounds were tested against L. donovani in the golden hamster. Although several analogues had meglumine antimoniate indexes in excess of 300, none was superior to the model compound.