ethyl 1,3-cyclopentadiene-1-carboxylate | 16179-27-4

• 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: ethyl 1,3-cyclopentadiene-1-carboxylate
• 英文别名: Ethyl cyclopenta-1,3-diene-1-carboxylate
• CAS: 16179-27-4
• 化学式: C₈H₁₀O₂
• 分子量: 138.166
• InChiKey: WRTNZOCDIMWFSA-UHFFFAOYSA-N

物化性质

• 沸点：
  191.7±19.0 °C(Predicted)
• 密度：
  1.084±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 1,3-cyclopentadiene-1-carboxylate 在 lead(IV) acetate 、 盐酸 、 sodium hydroxide 、 重铬酸吡啶 、 4 A molecular sieve 、 氨 、 氧气 、 lithium 、 magnesium 、 溶剂黄146 、 甲胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 50.0h， 生成 rac-(1S,2S,6S,8S)-8,11,11-trimethylbicyclo[6.3.0.0(2,6)]undecan-3-one
  参考文献：
  名称：

  Synthesis and reactions of ester-substituted fulvenes. A new route to .DELTA.9(12)-capnellene

  摘要：

  DOI：

  10.1021/jo00302a004

文献信息

• SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES
  申请人：Wang Zhong

  公开号：US20120077814A1

  公开（公告）日：2012-03-29

  The disclosure provides biologically active compounds of formula (I): and pharmaceutically acceptable salts thereof, compositions containing these compounds, and methods of using these compounds in a variety applications, such as treatment of diseases or disorders associated with E1 type activating enzymes, and with Nedd8 activating enzyme (NAE) in particular.

  该披露提供了化学式(I)的生物活性化合物及其药用盐，含有这些化合物的组合物，以及在各种应用中使用这些化合物的方法，例如用于治疗与E1型激活酶相关的疾病或紊乱，特别是与Nedd8激活酶(NAE)相关的疾病或紊乱。
• HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR
  申请人：Uchida Hiroshi

  公开号：US20130079306A1

  公开（公告）日：2013-03-28

  A novel heterocyclic compound or a salt thereof useful for selectively inhibiting the degradation of p27 Kip1 is provided. The compound or the salt thereof is represented by the following formula (1): wherein A represents an alkyl group, a cycloalkyl group, an aryl group or a heterocyclic group, the group A may have a substituent; the ring B represents a 5- to 8-membered monocyclic heterocyclic ring or a condensed ring containing the monocyclic heterocyclic ring, the ring B may have a substituent; the ring C represents an aromatic ring, the ring C may have a substituent; L represents a linker comprising a main chain having 3 to 5 atoms selected from the group consisting of a carbon atom, a nitrogen atom, an oxygen atom and a sulfur atom, wherein at least one atom in the main chain is a hetero atom selected from the group consisting of a nitrogen atom, an oxygen atom and a sulfur atom, the linker L may have a substituent; and n is 0 or 1.

  提供了一种新型杂环化合物或其盐，用于选择性地抑制p27Kip1的降解。该化合物或其盐由以下式（1）表示：其中A代表烷基、环烷基、芳基或杂环基，基团A可能有取代基；环B代表5至8成员的单环杂环环或包含该单环杂环环的缩合环，环B可能有取代基；环C代表芳香环，环C可能有取代基；L代表包含3至5个原子的主链的连接物，所述原子选自碳原子、氮原子、氧原子和硫原子组成的群，其中主链中的至少一个原子是选自氮原子、氧原子和硫原子组成的杂原子，连接物L可能有取代基；n为0或1。
• NON-SYSTEMIC TGR5 AGONISTS
  申请人：Ardelyx, Inc.

  公开号：US20150148311A1

  公开（公告）日：2015-05-28

  Compounds having the following structure (I): or a stereoisomer, tautomer, pharmaceutically acceptable salt or prodrug thereof, wherein R 1 , R 2 , R 3 , R 4 , R 8 , R 9 , R 10 , R 11 , R 12 , A 1 , A 2 , X, Y and Z are as defined herein. Uses of such compounds as TGR5 antagonists and for treatment of various indications, including Type II diabetes meletus are also provided.

  具有以下结构（I）或其立体异构体，互变异构体，药学上可接受的盐或前药的化合物，其中R1、R2、R3、R4、R8、R9、R10、R11、R12、A1、A2、X、Y和Z如本文所定义。本文还提供了这种化合物作为TGR5拮抗剂和治疗各种症状，包括II型糖尿病的用途。
• NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION
  申请人：Hoffmann-La Roche Inc.

  公开号：US20160068531A1

  公开（公告）日：2016-03-10

  The invention provides novel compounds having the general formula: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , W 1 , W 2 , W 3 , A and X are as described herein, compositions including the compounds and methods of using the compounds.

  本发明提供了一种具有一般式的新化合物：其中R1、R2、R3、R4、R5、R6、W1、W2、W3、A和X如本文所述，包括该化合物的组合物和使用该化合物的方法。
• PESTICIDE COMPOSITIONS
  申请人：Fundació Centre de Regulació Genòmica

  公开号：EP3488695A1

  公开（公告）日：2019-05-29

  Disclosed herein are novel pesticide compounds and compositions. In particular, pesticide compositions comprising one or more pesticide volatile organic compounds (VOCs) are disclosed, wherein the pesticide is for Drosophila spp. and the one or more pesticide VOCs have the molecular formula CaHbOc wherein: a is between 4 and 13; b is 6, 8, 10, 12, 14, 16, 18, 20, 22 or 24; c is 1 or 2. The VOCs are linear, branched or cyclic alkanes or alkenes, and comprise a single ketone, aldehyde, alcohol or ester functionality, and wherein any cyclic alkane or alkene is selected from the group consisting of cyclohexane, cyclopentane, cyclopentene and cyclopentadiene. Also disclosed are Drosophila spp. pesticide compositions comprising one or more pesticide VOCs with the molecular formula of (formula I) wherein R1 is OH or absent, and R2 is an aldehyde functional group or a linear or branched alkane or alkene with 1 to 5 carbons and a single ester functional group.Uses of the pesticide compositions according to the invention to prevent, reduce or eliminate a D.suzukii infestation are also disclosed.

  本文公开了新型农药化合物和组合物。特别是公开了包含一种或多种农药挥发性有机化合物（VOC）的农药组合物，其中农药用于果蝇属，且一种或多种农药挥发性有机化合物具有分子式 CaHbOc 其中：a 在 4 和 13 之间；b 为 6、8、10、12、14、16、18、20、22 或 24；c 为 1 或 2。这些挥发性有机化合物是线性、支链或环状烷烃或烯，并包含单一的酮、醛、醇或酯官能团，其中任何环状烷烃或烯都选自环己烷、环戊烷、环戊烯和环戊二烯组成的组。还公开了果蝇属农药组合物，该组合物包含一种或多种农药挥发性有机化合物，其分子式为（式I），其中R1为OH或不存在，R2为醛官能团或具有1至5个碳原子的直链或支链烷烃或烯以及单个酯官能团。