2,2-bis(methoxycarbonyl)cyclopentanone | 134149-19-2

• 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: 2,2-bis(methoxycarbonyl)cyclopentanone
• 英文别名: Cyclopentanon-(2)-dicarbonsaeure-(1.1)-dimethylester；2-oxo-cyclopentane-1,1-dicarboxylic acid dimethyl ester；2-Oxo-cyclopentan-1,1-dicarbonsaeure-dimethylester；2-dicarbomethoxycyclopentanone；Dimethyl 2-oxocyclopentane-1,1-dicarboxylate
• CAS: 134149-19-2
• 化学式: C₉H₁₂O₅
• 分子量: 200.191
• InChiKey: IFBVBPACKYFTOF-UHFFFAOYSA-N

物化性质

• 沸点：
  127-128 °C(Press: 7 Torr)
• 密度：
  1.260±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2-bis(methoxycarbonyl)cyclopentanone 、 氯甲酸甲酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以50%的产率得到Dimethyl 2-hydroxycyclopentene-1,3-dicarboxylate
  参考文献：
  名称：

  [EN] PYRAZOLOPYRIMIDINES AS CYCLIN-DEPENDENT KINASE INHIBITORS
  [FR] PYRAZOLOPYRIMIDINES TENANT LIEU D'INHIBITEURS DE KINASES DEPENDANTES DE LA CYCLINE

  摘要：

  在其多种实施方式中，本发明提供了一类新型的吡唑并[1,5-a]嘧啶化合物，作为细胞周期依赖性激酶的抑制剂，以及制备这类化合物的方法，含有一种或多种这类化合物的药物组合物，制备包含一种或多种这类化合物的药物配方的方法，以及利用这类化合物或药物组合物治疗、预防、抑制或改善与CDKs相关的一种或多种疾病的方法。

  公开号：

  WO2004022561A1
• 作为产物：
  描述：

  (2E)-2-[2,2-bis(methoxycarbonyl)cyclopentylidene]acetic acid 在 ruthenium trichloride 、 sodium periodate 作用下， 以 四氯化碳 、 水 、 乙腈 为溶剂， 反应 0.5h， 以20%的产率得到2,2-bis(methoxycarbonyl)cyclopentanone
  参考文献：
  名称：

  Intramolecular and Intermolecular Mn(III)-Induced Carbon Monoxide Trapping Reactions of Alkynes with Malonate and Cyano Ester Units

  摘要：

  Intra- and intermolecular carbon monoxide trapping reactions of alkynes with malonates and cyano esters were developed using a Mn(III)-induced oxidative system. Phenylacetylene was treated with diethyl ethylmalonate in the presence of Mn(OAc)(3) . 2H(2)O, in AcOH-CH3CN (1:1) under carbon monoxide, affording (Z)-4,4-dicarbethoxy-2-phenyl-2-hexenoic acid. Similarly, intramolecular reactions of 4-alkynylmalonates and cyanoacetates proceeded regio- and stereoselectively under the same conditions to afford the corresponding methylenecycloalkanecarboxylic acids in moderate yields. The reaction involves carbon monoxide trapping of vinyl radicals which are formed by the addition of malonate or cyanoacetate radicals induced by Mn(III) to alkynes.

  DOI：

  10.1021/jo9607673

文献信息

• Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors
  申请人：Schering Corporation and Pharmacopeia, Inc.

  公开号：US20040209878A1

  公开（公告）日：2004-10-21

  In its many embodiments, the present invention provides a novel class of pyrazolo[1,5-a]pyrimidine compounds as inhibitors of cyclin dependent kinases, methods of preparing such compounds, pharmaceutical compositions containing one or more such compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the CDKs using such compounds or pharmaceutical compositions.

  在其多种实施方式中，本发明提供了一种新型的吡唑并[1,5-a]嘧啶类化合物，作为细胞周期依赖性激酶的抑制剂，以及制备这类化合物的方法、含有一种或多种这类化合物的药物组合物、制备含有一种或多种这类化合物的药物配方的方法，以及使用这类化合物或药物组合物进行一种或多种与CDKs相关的疾病的治疗、预防、抑制或改善的方法。
• A study on the regio- and stereoselectivity in palladium-catalyzed cyclizations of alkenes and alkynes bearing bromoaryl and nucleophilic groups
  作者：Didier Bruyère、Didier Bouyssi、Geneviève Balme

  DOI：10.1016/j.tet.2004.03.023

  日期：2004.4

  We have studied the remarkable dependence of the stereochemistry of the cyclization on the double bond geometry and of the effect of the bulkiness of the nucleophile on the regiochemistry of the palladium mediated cyclization of alkenes bearing aryl bromides and nucleophiles. In contrast, the cyclization of the acetylenic homologous substrates is not dependent on the nature of the nucleophile.

  我们已经研究了环化的立体化学对双键几何的显着依赖性以及亲核试剂的大体积对钯介导的带有芳基溴化物和亲核试剂的烯烃介导的环化的区域化学的显着依赖性。相反，炔属同源底物的环化不取决于亲核试剂的性质。
• Pyrazolopyrimidines as cyclin dependent kinase inhibitors
  申请人：Guzi J. Timothy

  公开号：US20070225270A1

  公开（公告）日：2007-09-27

  In its many embodiments, the present invention provides a novel class of pyrazolo[1,5-a]pyrimidine compounds as inhibitors of cyclin dependent kinases, methods of preparing such compounds, pharmaceutical compositions containing one or more such compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the CDKs using such compounds or pharmaceutical compositions.

  在其多种实施方式中，本发明提供了一种新型的嘧唑并[1,5-a]嘧啶化合物类作为细胞周期蛋白依赖性激酶的抑制剂，制备这种化合物的方法，含有一种或多种这种化合物的制药组合物，制备包含一种或多种这种化合物的制药制剂的方法，以及使用这种化合物或制药组合物治疗、预防、抑制或缓解与CDKs相关的一种或多种疾病的方法。
• Pyrazolopyrimidines suitable for the treatment of cancer diseases
  申请人：Schering Corporation

  公开号：EP2194058A1

  公开（公告）日：2010-06-09

  In its many embodiments, the present invention provides a novel class of pyrazolo[1,5-a]pyrimidine compounds as inhibitors of cyclin dependent kinases, methods of preparing such compounds, pharmaceutical compositions containing one or more such compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the CDKs using such compounds or pharmaceutical compositions.

  在许多实施方案中，本发明提供了一类新型吡唑并[1,5-a]嘧啶化合物作为细胞周期蛋白依赖性激酶的抑制剂、制备此类化合物的方法、含有一种或多种此类化合物的药物组合物、制备包含一种或多种此类化合物的药物制剂的方法，以及使用此类化合物或药物组合物治疗、预防、抑制或改善一种或多种与 CDK 相关疾病的方法。
• Trave,R. et al., Gazzetta Chimica Italiana, 1963, vol. 93, p. 1327 - 1342
  作者：Trave,R. et al.

  DOI：——

  日期：——