3-Styrylcyclopentanone | 139378-21-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Styrylcyclopentanone
• 英文别名: (E)-3-styryl cyclopentanone；(E)-3-styrylcyclopentan-1-one；3-Styryl-cyclopentanon；3-[(E)-2-phenylethenyl]cyclopentan-1-one
• CAS: 139378-21-5
• 化学式: C₁₃H₁₄O
• 分子量: 186.254
• InChiKey: ARBZJQANXYUBNI-VOTSOKGWSA-N

物化性质

• 沸点：
  318.4±21.0 °C(Predicted)
• 密度：
  1.140±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4,5-dioxo-2-styryl-cyclopentane-1,3-dicarboxylic acid dimethyl ester 在 甲醇 、 乙醇 、 硫酸 、 锌 作用下， 生成 3-Styrylcyclopentanone
  参考文献：
  名称：

  Staudinger; Ruzicka, Helvetica Chimica Acta, 1924, vol. 7, p. 446

  摘要：

  DOI：

文献信息

• [EN] BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS<br/>[FR] COMPOSÉS RELIÉS PAR UN PONT EN TANT QU'INHIBITEURS DE L'INTÉGRASE DU VIH
  申请人：MERCK SHARP & DOHME

  公开号：WO2010088167A1

  公开（公告）日：2010-08-05

  Compounds of Formula I are inhibitors of HIV integrase and inhibitors of HIV replication: the asterisk * in Q denotes the point of attachment to the rest of the compound; and n, L1, L2, X1, X2, χ3, Y, Z, R1, R2 and R3 are defined herein. The compounds are useful for the prophylaxis or treatment of infection by HIV and the prophylaxis, treatment, or delay in the onset or progression of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se (or as hydrates or solvates thereof) or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  化合物I的公式是HIV整合酶抑制剂和HIV复制抑制剂：Q中的星号*表示与化合物其余部分的连接点；n、L1、L2、X1、X2、χ3、Y、Z、R1、R2和R3在此定义。这些化合物对于预防或治疗HIV感染以及预防、治疗或延缓艾滋病的发病或进展是有用的。这些化合物可用作抗HIV感染和艾滋病的化合物本身（或其水合物或溶剂化合物）或以药学上可接受的盐的形式。这些化合物及其盐可用作药物组合物的成分，可选择地与其他抗病毒药物、免疫调节剂、抗生素或疫苗结合使用。
• Site‐Selective C( <i>sp</i> ³ )‐H Alkenylation Using Decatungstate Anion as Photocatalyst
  作者：Yi‐Ting Wang、Yi‐Lun Shih、Yen‐Ku Wu、Ilhyong Ryu

  DOI：10.1002/adsc.202101374

  日期：2022.3

  Site-selective C(sp3)-H alkenylation was achieved under photo-irradiation in the presence of a catalytic amount of decatungstate anion, W10O324−. In this reaction, the radical addition/β-scission sequence is successfully combined with photocatalytic C(sp3)-H functionalization. The reaction using weaker C−H bonds such as those in THF revealed that the benzenesulfonyl radical itself underwent HAT directly

  在催化量的十钨酸盐阴离子 W 10 O 32 4-存在下，在光辐照下实现了位点选择性 C( sp 3 )-H 烯基化。在该反应中，自由基加成/β-断裂序列成功地与光催化 C( sp 3 )-H 官能化结合。使用较弱的 C-H 键（例如 THF 中的那些）进行的反应表明，苯磺酰基本身直接从 C-H 键经历 HAT，并且十钨酸盐阴离子参与了链修复步骤。
• BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS
  申请人：Venkatraman Shankar

  公开号：US20120022045A1

  公开（公告）日：2012-01-26

  Compounds of Formula I are inhibitors of HIV integrase and inhibitors of HIV replication: the asterisk * in Q denotes the point of attachment to the rest of the compound; and n, L1, L2, X 1 , X 2 , χ 3 , Y, Z, R 1 , R 2 and R 3 are defined herein. The N compounds are useful for the prophylaxis or treatment of infection by HIV and the prophylaxis, treatment, or delay in the onset or progression of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se (or as hydrates or solvates thereof) or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  化学式I的化合物是HIV整合酶的抑制剂和HIV复制的抑制剂：Q中的星号*表示与化合物其余部分的连接点；n，L1，L2，X1，X2，χ3，Y，Z，R1，R2和R3在此定义。N化合物用于预防或治疗HIV感染以及预防、治疗或延缓艾滋病的发病或进展。这些化合物可以作为化合物本身（或其水合物或溶剂化物）或作为药物学上可接受的盐的形式用于对抗HIV感染和艾滋病。这些化合物及其盐可作为药物组合物中的成分，可选地与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。
• Merging Manganese and Iminium Catalysis: Selective Hydroalkenylation of Unsaturated Aldehydes and Ketones
  作者：Chuan‐Gang Zhao、Chaoyu Du、Zhenyu Guo、Weipeng Li、Jie Han、Jin Xie

  DOI：10.1002/anie.202312414

  日期：2023.10.23

  hydroalkenylation of unsaturated aldehydes and ketones has been accomplished via synergistic HOMO and LUMO activation by means of manganese and iminium catalysis. The use of chiral organocatalysts could provide the corresponding products with moderate enantioselectivity.

  不饱和醛和酮的选择性加氢烯基化是通过锰和亚胺催化的协同 HOMO 和 LUMO 活化来完成的。使用手性有机催化剂可以提供具有中等对映选择性的相应产物。
• Acid-induced ring opening of .alpha.-bis(methylthio)methylenealkyl cyclopropyl ketones: a novel route to substituted cyclopentanones through carbocationic cyclizations
  作者：Balaram Patro、Biswajit Deb、Hiriyakkanavar Ila、Hiriyakkanavar Junjappa

  DOI：10.1021/jo00034a014

  日期：1992.4

  Alpha-[Bis(methylthio)methylene]alkyl 2-styrylcyclopropyl ketones 10a-d,f and their higher enyl analogues 10e,g undergo acid-induced ring opening and carbocationic cyclizations to afford substituted cyclopentanone derivatives. The structures of these products depend on the reaction conditions and the nature of the substituent in the aryl ring. The methodology has been extended to the synthesis of 11-oxosteroid precursors 22 and 25.