1,2-二环丙基-1-酮 | 14113-96-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,2-二环丙基-1-酮
• 英文名称: 1,2-dicyclopropylethanone
• 英文别名: 1,2-dicyclopropyl-ethanone；α-Oxo-α.β-dicyclopropyl-aethan；1,2-Dicyclopropyl-aethanon；cyclopropylmethyl cyclopropyl ketone；1,2-Dicyclopropylethan-1-one
• CAS: 14113-96-3
• 化学式: C₈H₁₂O
• 分子量: 124.183
• InChiKey: LEDDGPDZNVLLII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险类别：
  3
• 危险性防范说明：
  P210,P240,P241,P242,P243,P261,P264,P271,P280,P302+P352,P303+P361+P353,P304+P340,P305+P351+P338,P312,P332+P313,P337+P313,P362,P370+P378,P403+P233,P403+P235,P405,P501
• 危险品运输编号：
  1224
• 危险性描述：
  H225,H315,H319,H335
• 包装等级：
  III
• 储存条件：
  应存放在室温、密封、干燥的环境中。

反应信息

• 作为反应物：
  描述：

  1,2-二环丙基-1-酮 在 乙醇 、 sodium 作用下， 生成 1,2-dicyclopropyl-ethanol
  参考文献：
  名称：

  Michiels, Chemisches Zentralblatt, 1912, vol. 83, # I, p. 1105

  摘要：

  DOI：
• 作为产物：
  描述：

  5,5-dicyclopropyl-3-nitroso-oxazolidin-2-one 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 1,2-二环丙基-1-酮
  参考文献：
  名称：

  Alkali-induced reactions of N-nitrosooxazolidones and N-nitrosoacetylamino alcohols containing cyclopropyl groups

  摘要：

  DOI：

  10.1021/jo00986a006

文献信息

• ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20170275260A1

  公开（公告）日：2017-09-28

  The present disclosure relates to compounds of formula I that are useful as modulators of α7 nAChR, compositions comprising such compounds, and the use of such compounds for preventing, treating, or ameliorating disease, particularly disorders of the central nervous system such as cognitive impairments in Alzheimer's disease, Parkinson's disease, and schizophrenia, as well as for L-DOPA induced-dyskinesia and inflammation

  本公开涉及公式I的化合物，这些化合物可用作α7 nAChR的调节剂，包含这些化合物的组合物，以及利用这些化合物预防、治疗或改善疾病，特别是中枢神经系统疾病，如阿尔茨海默病、帕金森病和精神分裂症，以及L-多巴引起的运动障碍和炎症。
• Branched alkylamino derivatives of thiazole, processes for preparing
  申请人：Elf Sanofi

  公开号：US05464847A1

  公开（公告）日：1995-11-07

  The invention relates to the derivatives of formula I: ##STR1## in which R.sub.1 represents a phenyl or naphthyl radical (optionally substituted), R.sub.2 represents a hydrogen or halogen atom or an alkyl, hydroxymethyl or formyl radical, R.sub.3 represents an alkyl, cycloalkyl, alkenyl, cycloalkylalkyl or phenyl radical, R.sub.4 represents a hydrogen atom or an alkyl, cycloalkyl or cycloalkylalkyl radical, R.sub.5 represents an alkyl, cycloalkyl, cycloalkylalkyl or alkenyl radical or a radical of formula B: ##STR2## (p=0, 1, 2 or 3), R.sub.6 represents a phenyl, pyridyl, imidazolyl, pyrrolyl, thienyl or furyl radical, optionally substituted, or a cycloalkyl radical, m and n, which may be identical or different, each represent 0 or 1, their possible stereoisomers and their addition salts.

  该发明涉及公式I的衍生物：##STR1##其中R.sub.1代表苯基或萘基（可选择取代基），R.sub.2代表氢原子或卤素原子或烷基、羟甲基或甲酰基基团，R.sub.3代表烷基、环烷基、烯基、环烷基烷基或苯基基团，R.sub.4代表氢原子或烷基、环烷基或环烷基烷基基团，R.sub.5代表烷基、环烷基、环烷基烷基或烯基基团或公式B的基团：##STR2##（p=0, 1, 2或3），R.sub.6代表苯基、吡啶基、咪唑基、吡咯基、噻吩基或呋喃基，可选择取代，或环烷基基团，m和n，可以相同也可以不同，每个代表0或1，它们的可能立体异构体及其加合盐。
• Bridged spiropentanes: Ring expansion
  作者：Kenneth B. Wiberg、John R. Snoonian

  DOI：10.1016/0040-4039(94)02489-x

  日期：1995.2

  Diazomethane ring expansion of tricyclo[4.1.0.01,3]heptan-4-one provides a convenient route to three carbon-bridged spiropentanes. The relative rates of reaction and the migratory preferences of cyclopropyl vs methylene were examined for several cyclopropyl alkyl ketones, and were correlated with the results of HF/6-31G∗ MO calculations.

  三环[4.1.0.0 1,3 ]庚烷-4-酮的重氮甲烷环扩环提供了通往三个碳桥联螺环戊烷的便捷途径。研究了几种环丙基烷基酮的相对反应速率以及环丙基与亚甲基的迁移偏好，并将其与HF / 6-31G * MO计算结果相关联。
• Carbonylative N-Heterocyclization via Nitrogen-Directed C–C Bond Activation of Nonactivated Cyclopropanes
  作者：Adam D. J. Calow、David Dailler、John F. Bower

  DOI：10.1021/jacs.2c02921

  日期：2022.6.29

  as directing groups to facilitate regioselective C–C bond activation of nonactivated cyclopropanes. The resulting amino-stabilized rhodacycles undergo carbonylative C–N bond formation en route to challenging seven- and eight-membered lactams. The processes represent rare examples where C–C bond oxidative addition of nonactivated cyclopropanes is exploited in reaction design.

  在 Rh 催化条件下，仲胺和苯胺作为导向基团促进非活化环丙烷的区域选择性 C-C 键活化。由此产生的氨基稳定的罗丹环在形成具有挑战性的七元和八元内酰胺的过程中经历了羰基化 C-N 键的形成。这些过程代表了在反应设计中利用非活化环丙烷的 C-C 键氧化加成的罕见例子。
• Discovery of imidazo[1,2-a]pyridines as potent MCH1R antagonists
  作者：Hiroyuki Kishino、Minoru Moriya、Shunji Sakuraba、Toshihiro Sakamoto、Hidekazu Takahashi、Takao Suzuki、Ryuichi Moriya、Masahiko Ito、Hisashi Iwaasa、Norihiro Takenaga、Akane Ishihara、Akio Kanatani、Nagaaki Sato、Takehiro Fukami

  DOI：10.1016/j.bmcl.2009.06.101

  日期：2009.8

  A series of imidazo[1,2-a] pyridine derivatives was identified and evaluated for MCH1R binding and antagonistic activity. Introduction of a methyl substituent at the 3-position of imidazo[1,2-a] pyridine provided compounds with a significant improvement in MCH1R affinity. Representative compounds in this series exhibited good potency and brain exposure in rats. (C) 2009 Elsevier Ltd. All rights reserved.