cis-2,5-dimethylcyclopentanone | 6672-39-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cis-2,5-dimethylcyclopentanone
• 英文别名: cis - 2,5 - Dimethylcyclopentanon；cis-2,5-Dimethylcyclopentanon；(2R,5S)-2,5-dimethylcyclopentan-1-one
• CAS: 6672-39-5
• 化学式: C₇H₁₂O
• 分子量: 112.172
• InChiKey: MKLARKDYEBNZFK-OLQVQODUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  甲基碘化镁 、 cis-2,5-dimethylcyclopentanone 生成 1,2,5-trimethylcyclopentanol
  参考文献：
  名称：

  The reactions of metastable [C5 H10 O]+˙ ions with the oxygen on the second carbon

  摘要：

  AbstractNearly all [C5H10O]+˙ isomers with the oxygen on the second carbon are shown to interconvert with each other and lose methyl and ethylene at the threshold for dissociation. The methyls contain the carbons from the 1‐ and 5‐positions with about equal frequency, and C(3) or perhaps C(4) about half as often as either terminal carbon. CH3 CH2 CH2 CO+ is formed by loss of the C(1) methyl and magnified image by loss of the C(5) methyl. Hydorgen transfer between C(5) and the oxygen and between the oxygen and C(4) are facile, and 1,2‐hydrogen transfers between C(3) and C(4) occur with high frequency. Extensive skeletal rearrangements also take placae by 1,2‐shifts between C(2), C(3) and C(4). We attribute the occurrence of teh three‐center shifts between C(2), C(3) and C(4) to the presence of considerable charge density on C(2) and C(3) in many of the [C5H10O]+˙ isomers. The isomerizations of [C5H10O]+˙ can be considered a mixture of free radical and carbocation reactions. Strong similarities exist between the isomerizations of metastable [C5H10O]+˙ ions with the oxygen on the second carbon and those of isomers of ionized butanoic acid, methyl butanoate and n‐butanal.

  DOI：

  10.1002/oms.1210190802
• 作为产物：
  描述：

  2,5-二甲基环戊-2-烯-1-酮 在 Beauveria sulfurescens 作用下， 以 水 为溶剂， 反应 240.0h， 以18%的产率得到cis-2,5-dimethylcyclopentanone
  参考文献：
  名称：

  (2R,5R)-(-)-2,5-Dimethylcyclopentanone and (5S)-(+)-2,5-dimethyl-2-cyclopenten-1-one by microbiological reduction of racemic 2,5-dimethyl-2-cyclopenten-1-one

  摘要：

  DOI：

  10.1021/jo00201a025

文献信息

• Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy
  申请人：AbbVie Deutschland GmbH & Co. KG

  公开号：US20150111867A1

  公开（公告）日：2015-04-23

  The present invention relates to aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives of the formula (I) or a physiologically tolerated salt thereof The invention relates to pharmaceutical compositions comprising such aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, and the use of such aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquin oline derivatives for therapeutic purposes. The aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives are GlyT1 inhibitors.

  本发明涉及氨基色酮、氨基硫代色酮和氨基-1,2,3,4-四氢喹啉衍生物的化学式（I）或其生理耐受盐。该发明涉及包括这种氨基色酮、氨基硫代色酮和氨基-1,2,3,4-四氢喹啉衍生物的药物组合物，以及利用这种氨基色酮、氨基硫代色酮和氨基-1,2,3,4-四氢喹啉衍生物进行治疗目的的用途。这些氨基色酮、氨基硫代色酮和氨基-1,2,3,4-四氢喹啉衍生物是GlyT1抑制剂。
• An organozinc aid in alkylation and acylation of lithium enolates
  作者：Yasushi Morita、Masaaki Suzuki、Ryoji Noyori

  DOI：10.1021/jo00269a006

  日期：1989.4
• YASUSHI, MORITA;MAZAAKI, SUZUKI;RYOJI, NOGOCI, J. ORG. CHEM., 54,(1989) N, C. 1785-1787
  作者：YASUSHI, MORITA、MAZAAKI, SUZUKI、RYOJI, NOGOCI

  DOI：——

  日期：——
• METHOD OF TREATING ACID-SENSING ION CHANNEL MEDIATED PAIN, COUGH SUPPRESSION, AND CENTRAL NERVOUS SYSTEM DISORDERS
  申请人：JOHNSON Michael R.

  公开号：US20080293740A1

  公开（公告）日：2008-11-27

  The present invention provides a variety of methods of treatment of acid-sensing ion channel (ASIC) mediated pain, cough, and central nervous system disorders by ASICs inhibition with a series of pyrazinoylguanidine compounds represented by formula (I) as defined herein.
• Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy
  申请人：AbbVie Deutschland GmbH & Co. KG

  公开号：US20170172993A1

  公开（公告）日：2017-06-22

  The present invention relates to aminotetraline and aminoindane derivatives of the formula (I) or a physiologically tolerated salt thereof. The invention relates to pharmaceutical compositions comprising such aminotetraline and aminoindane derivatives, and the use of such aminotetraline and aminoindane derivatives for therapeutic purposes. The aminotetraline and aminoindane derivatives are GlyT1 inhibitors.

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