1-cyclopentylidenepropan-2-one | 933-02-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-cyclopentylidenepropan-2-one
• 英文别名: 1-Cyclopentylidenpropan-2-on；cyclopentylideneacetone；cyclopentyliden-acetone；Cyclopentyliden-aceton；Cyclopentylidenmethylketon
• CAS: 933-02-8
• 化学式: C₈H₁₂O
• 分子量: 124.183
• InChiKey: UTZMTDJSBFQHBK-UHFFFAOYSA-N

物化性质

• 沸点：
  74-76 °C(Press: 14 Torr)
• 密度：
  0.94282 g/cm3(Temp: 20.5 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.08
• 重原子数：
  9.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1-cyclopentylidenepropan-2-one 在 氧气 、 sodium carbonate 、 臭氧 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 26.5h， 生成 Spiro[4.5]decan-7,8,9-trion
  参考文献：
  名称：

  Chemie freier, cyclischer vicinaler Tricarbonyl-Verbindungen (`1,2,3-Trione'), Teil 1, Reaktionsweise von Diazomethan und seinen Derivaten mit 5,5-Dimethylcyclohexan-1,2,3-trion (=`Oxo-dimedon') und verwandten Cyclohexan-1,2,3-trionen

  摘要：

  Interactions of diazomethane and of its derivatives as typical nucleophiles with cyclic 1,2,3-triones as efficient electrophiles lead to different results: a) formation of oxiranes (C,O insertion under loss of N-2), b) nucleophilic addition yielding diazoaldols, c) formation of ring-enlargement products (C,C insertion under loss of N-2), and d) formation of dioxoles via redox reactions (under loss of N-2). Our results and those of other groups allow us to recognize that the unexpected outcome of the reaction of oxodimedone and several related species is due to a closed-shell diazoaldol formation followed by an open-shell redox reaction leading to dioxoles.

  DOI：

  10.1002/1522-2675(20010711)84:7<2071::aid-hlca2071>3.0.co;2-d
• 作为产物：
  描述：

  1-(1-hydroxycyclopentyl)-3-(triphenyl-λ5-phosphanylidene)propan-2-one 反应 0.5h， 以45%的产率得到1-cyclopentylidenepropan-2-one
  参考文献：
  名称：

  α，β-不饱和酮的新合成

  摘要：

  通过热解由相应的β-酮基膦烷制备的δ-羟基β-酮基三苯基正膦，可以得到α，β-不饱和酮。

  DOI：

  10.1016/0040-4039(90)80133-7

文献信息

• [EN] FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS<br/>[FR] DÉRIVÉS DE THIOPHÈNE ET DE THIAZOLE FUSIONNÉS UTILISÉS EN TANT QUE MODULATEURS GAMMA ROR
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2015101928A1

  公开（公告）日：2015-07-09

  The present invention provides fused thiophene and thiazole derivatives of formula (I), which may be therapeutically useful, more particularly as RORγ modulators; in which R1, R2, R3, R4, R5, R6, R7, X1, X2, L, m, n and ring A have the meanings given in the specification, and pharmaceutically acceptable salts thereof that are useful in the treatment and prevention of diseases or disorders, in particular their use in disease(s) or disorder(s) where there is an advantage in modulating RORγ receptor. The present invention also provides preparation of the compounds and pharmaceutical formulations comprising at least one of the fused thiophene and thiazole derivatives of formula (I), together with a pharmaceutically acceptable carrier, diluent or excipient therefor.

  本发明提供了公式（I）的融合噻吩和噻唑衍生物，可能在治疗上有用，更具体地作为RORγ调节剂；其中R1、R2、R3、R4、R5、R6、R7、X1、X2、L、m、n和环A的含义如规范中所述，并且其药学上可接受的盐在治疗和预防疾病或疾病中有用，特别是在调节RORγ受体方面具有优势的疾病或紊乱的使用。本发明还提供了化合物的制备以及包含至少一种公式（I）的融合噻吩和噻唑衍生物的药物配方，以及药学上可接受的载体、稀释剂或赋形剂。
• [EN] METABOTROPIC GLUTAMATE RECEPTOR MODULATORS<br/>[FR] MODULATEURS DES RÉCEPTEURS MÉTABOTROPES AU GLUTAMATE
  申请人：MERZ PHARMA GMBH & CO KGAA

  公开号：WO2012052451A1

  公开（公告）日：2012-04-26

  The invention relates to heterocyclic derivatives of formula (I) as well as their pharmaceutically acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are mGluR5 modulators and are therefore useful for the control and prevention of acute and/or chronic neurological disorders wherein Y, W, R1, R2 and R3 are as defined in claim 1.

  该发明涉及公式（I）的杂环衍生物及其药学上可接受的盐。该发明还涉及制备这类化合物的方法。该发明的化合物是mGluR5调节剂，因此对于控制和预防急性和/或慢性神经系统疾病是有用的，其中Y、W、R1、R2和R3如权利要求1中所定义。
• [EN] INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME<br/>[FR] INHIBITEURS DE POLYMERASE D'ARN DEPENDANT D'ARN DU VIRUS DE L'HEPATITE C ET COMPOSITIONS ET TRAITEMENT UTILISANT CES INHIBITEURS
  申请人：PFIZER

  公开号：WO2006018725A1

  公开（公告）日：2006-02-23

  The present invention provides compounds of formula (4), and their pharmaceutically acceptable salts and solvates, which are useful as inhibitors of the Hepatitis C virus (HCV) polymerase enzyme and are also useful for the treatment of HCV infections in HCV-infected mammals. The present invention also provides pharmaceutical compositions comprising compounds of formula (4), their pharmaceutically acceptable salts and solvates. Furthermore, the present invention provides intermediate compounds and methods useful in the preparation of compounds of formula (4).

  本发明提供了公式（4）的化合物，以及它们的药学上可接受的盐和溶剂化合物，这些化合物可用作肝炎病毒（HCV）聚合酶酶的抑制剂，并且也可用于治疗HCV感染的HCV感染的哺乳动物。本发明还提供了包含公式（4）的化合物、其药学上可接受的盐和溶剂的药物组合物。此外，本发明提供了制备公式（4）化合物的中间体化合物和方法。
• Meerwein–Ponndorf–Verley-type reductive acetylation of carbonyl compounds to acetates by lanthanide complexes in the presence of isopropenyl acetate
  作者：Yasushi Nakano、Satoshi Sakaguchi、Yasutaka Ishii

  DOI：10.1016/s0040-4039(00)00012-5

  日期：2000.3

  Meerwein–Ponndorf–Verley-type reductive acetylation of carbonyl compounds to acetates was successfully carried out in the presence of isopropenyl acetate under the influence of a catalytic amount of Ln(OiPr)3 at room temperature. Various carbonyl compounds were converted into the corresponding acetates in fair to good yields.

  在室温下，在催化量Ln（O i Pr）3的影响下，在乙酸异丙烯酯的存在下，成功实现了Meerwein-Ponndorf-Verley型羰基化合物还原为乙酸的乙酰基化反应。各种羰基化合物均以适当的收率转化为相应的乙酸盐。
• A facile, stereoselective preparation of ()-2,4-pentadienoates by favorskii rearrangement
  作者：Thomas A Engler、Wolfgang Falter

  DOI：10.1016/s0040-4039(00)84924-2

  日期：1986.1

  Reaction of 1,3,4-tribromo-2-alkanones, efficiently prepared by direct bromination of the parent enone, with methanolic sodium methoxide gives methyl ()-2,4-pentadienoates with high () selectivity about the α,β-double bond.

  通过直接溴化母体烯酮有效地制备的1,3,4-三溴-2-链烷酮与甲醇甲醇钠的反应可制得具有高（）选择性的关于（α，β-双）的（）-2,4-戊二烯酸甲酯键。