1-(环戊烯-1-基)丙烷-2-酮 | 823-91-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(环戊烯-1-基)丙烷-2-酮
• 英文名称: 1-cyclopentenylpropan-2-one
• 英文别名: 1-(Cyclopent-1-en-1-yl)propan-2-on；1-(1-cyclopentenyl)-2-propanone；cyclopent-1-enyl-acetone；Cyclopent-1-enyl-aceton；1-Cyclopent-1-enyl-2-propanon；(1-Cyclopenten-1-yl)-aceton；1-(Cyclopent-1-en-1-yl)propan-2-one；1-(cyclopenten-1-yl)propan-2-one
• CAS: 823-91-6
• 化学式: C₈H₁₂O
• 分子量: 124.183
• InChiKey: PTXVCZHNKWSVSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  1-(环戊烯-1-基)丙烷-2-酮 在 sodium hydroxide 、 硫酸 作用下， 生成 Cyclopentyl-tert-butyl-N-acetylamin
  参考文献：
  名称：

  Studies Directed toward the Total Synthesis of Azasteroids. I. 3,4-Cyclopenteno-5,6-dihydropyridines and 6,6-Tetramethylene-5,6-dihydro-1,3-oxazines^1-3

  摘要：

  DOI：

  10.1021/jo01046a002
• 作为产物：
  描述：

  1-(2-甲基丙-2-烯-1-基)环戊醇 在 碘 氧气 、 臭氧 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 3.0h， 生成 1-(环戊烯-1-基)丙烷-2-酮
  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

文献信息

• Bisheterocycle Tandem Compounds Useful as Antiviral Agents, the Uses Thereof and the Compositions Comprising Such Compounds
  申请人：Nan Fajun

  公开号：US20080306121A1

  公开（公告）日：2008-12-11

  The present invention provides small molecule compounds of bisheterocycle in tandem having the structural formula of P1-P2, and the use thereof as well as a composition containing the compounds, each of P1 and P2 is an unsaturated 5-member heterocyclic ring having one or two heteroatoms. This compound may effectively inhibit the replication of influenza virus, the DNA replication of hepatitis B virus (HBV), and the formation of HBsAg and HBeAg. These compounds can be used for the preparation of a medicament for viral diseases, and may overcome the limitations of the known nucleosides drugs, including cytotoxicity, the requirement of other drugs having different structures for against the drug-resistant virus variants induced by long-term therapy. The structure of the compounds according to the invention is relatively simple and easy to be prepared.

  本发明提供了具有P1-P2结构式的串联双杂环小分子化合物，以及其用途和含有这些化合物的组合物，其中P1和P2分别是具有一个或两个杂原子的不饱和5元杂环。该化合物可以有效抑制流感病毒的复制、乙型肝炎病毒（HBV）的DNA复制以及HBsAg和HBeAg的形成。这些化合物可用于制备用于病毒性疾病的药物，并且可能克服已知核苷类药物的局限性，包括细胞毒性、长期治疗引起的对抗药物耐药病毒变异所需其他结构不同的药物。根据本发明的化合物结构相对简单且易于制备。
• Organic Compounds
  申请人：Granier Thierry

  公开号：US20100292128A1

  公开（公告）日：2010-11-18

  Described are spiroalkyl- and -alkenylketones and esters thereof, a method for their production and fragrance compositions comprising them.

  描述了螺环烷基和烯基酮及其酯类，以及它们的生产方法和包含它们的香精组合物。
• Terminal Alkynes as One‐Carbon Donors in [5+1] Heteroannulation: Synthesis of Pyridines via Ynimine Intermediates and Application in the Total Synthesis of Anibamine B
  作者：Rémi Lavernhe、Qian Wang、Jieping Zhu

  DOI：10.1002/anie.202303537

  日期：——

  accessible β,γ-unsaturated oxime esters and terminal alkynes with complete regiochemical control and excellent functional-group compatibility. The first total synthesis of the indolizinium alkaloid anibamine B was accomplished featuring this novel pyridine synthesis as a key step.

  二到五取代的吡啶是在一次操作中从易于获得的 β,γ-不饱和肟酯和末端炔烃合成的，具有完全的区域化学控制和优异的官能团相容性。以这种新型吡啶合成为关键步骤，完成了吲哚嗪生物碱 anibamine B 的首次全合成。
• 2,2,3-Trimethylcyclopentenyl acetone derivatives, organoleptic uses thereof and process for preparing same
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP0470426A2

  公开（公告）日：1992-02-12

  Described are 2,2,3-trimethylcyclopentenyl acetone derivatives defined according to one or a mixture of compounds having the structures: and organoleptic uses thereof, processes for preparing same using as a starting material the compound having the structure: which is reacted to form the compound having the structure: which is further reacted to form the novel intermediate: which is then converted to the 2,2,3-trimethylcyclopentenyl acetone derivatives of our invention using the allylic alcohol having the structure: wherein R3, R4, and R5 are the same or different hydrogen or methyl; R6 represents hydrogen, methyl, ethyl, or propyl or isopropyl; x is 0, 1 or 2; R7 is methyl or ethyl; R7' and R7" represent methyl or ethyl or R7', (CH2)x and R7" taken together represents C2-C6 alkylene; M represents Li, Mg, X or MgX; and X represents chloro or bromo.

  所述的 2,2,3-三甲基环戊烯基丙酮衍生物是根据具有以下结构的化合物之一或混合物定义的： 以及 其感官用途，以及以具有以下结构的化合物为起始原料制备上述衍生物的工艺： 反应生成结构如下的化合物： 进一步反应生成新型中间体： 然后使用具有以下结构的烯丙基醇将其转化为本发明的 2,2,3-三甲基环戊烯丙酮衍生物： 其中R3、R4和R5是相同或不同的氢或甲基；R6代表氢、甲基、乙基或丙基或异丙基；x是0、1或2；R7是甲基或乙基；R7'和R7 "代表甲基或乙基或R7'、(CH2)x和R7 "合在一起代表C2-C6亚烷基；M代表Li、Mg、X或MgX；X代表氯或溴。
• 2-Thiophen-2-yl-oxazole, 2-Thiophen-2-yl-thiazole and 2-Thiophen-2-yl-1H-imidazole derivatives as antiviral agents
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：EP2223921A1

  公开（公告）日：2010-09-01

  The present invention provides small molecule compounds of bisheterocycle in tandem having the structural formula of P1-P2, and the use thereof as well as a composition containing the compounds, each of P1 and P2 is an unsaturated 5-member heterocyclic ring having one or two heteroatoms. This compound may effectively inhibit the replication of influenza virus, the DNA replication of hepatitis B virus (HBV), and the formation of HBsAg and HBeAg. These compounds can be used for the preparation of a medicament for viral diseases, and may overcome the limitations of the known nucleosides drugs, including cytotoxicity, the requirement of other drugs having different structures for against the drug-resistant virus variants induced by long-term therapy. The structure of the compounds according to the invention is relatively simple and easy to be prepared.

  本发明提供了结构式为P1-P2的串联双杂环小分子化合物及其用途以及含有该化合物的组合物，其中P1和P2各自为具有一个或两个杂原子的不饱和五元杂环。这种化合物可有效抑制流感病毒的复制、乙型肝炎病毒（HBV）DNA 的复制以及 HBsAg 和 HBeAg 的形成。这些化合物可用于制备治疗病毒性疾病的药物，并可克服已知核苷类药物的局限性，包括细胞毒性、需要使用其他不同结构的药物来对付长期治疗诱发的耐药病毒变种。本发明化合物的结构相对简单，易于制备。