4-(tert-butyl)-3-methyl-cyclohex-2-enone | 58649-27-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-(tert-butyl)-3-methyl-cyclohex-2-enone
• 英文别名: 4-tert.-Butyl-3-methyl-2-cyclohexenon；4-Tert-butyl-3-methyl-cyclohexenone；4-tert-butyl-3-methylcyclohex-2-en-1-one
• CAS: 58649-27-7
• 化学式: C₁₁H₁₈O
• 分子量: 166.263
• InChiKey: LMCFQFCIKSBVRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 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：

  4-(tert-butyl)-3-methyl-cyclohex-2-enone 在 sodium tetrahydroborate 、 cerium(III) chloride heptahydrate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 (±)-syn-4-(tert-butyl)-3-methylcyclohex-2-enol 、 (±)-anti-4-(tert-butyl)-3-methylcyclohex-2-enol
  参考文献：
  名称：

  Studies toward the Generation of Functionalized Quaternary Carbon Centers Relying on Wittig and Wittig–Still Allylic Ether Anionic Transpositions

  摘要：

  Although the [2,3]-Wittig and Wittig-Still rearrangements have long been known, their application in the generation of quaternary carbon centers in carbocyclic ring systems is sparse. Model studies utilizing this strategy and possible mechanisms are discussed herein. Unprecedented examples of an a-elimination pathway from stannylmethyl allyl ethers as a major undesired product in some Wittig-Still rearrangements are reported.

  DOI：

  10.1021/jo401488y
• 作为产物：
  描述：

  4-[(1,1-二甲基)乙基]-2-环己烯-1-酮 在 palladium diacetate 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 20.17h， 生成 4-(tert-butyl)-3-methyl-cyclohex-2-enone
  参考文献：
  名称：

  Studies toward the Generation of Functionalized Quaternary Carbon Centers Relying on Wittig and Wittig–Still Allylic Ether Anionic Transpositions

  摘要：

  Although the [2,3]-Wittig and Wittig-Still rearrangements have long been known, their application in the generation of quaternary carbon centers in carbocyclic ring systems is sparse. Model studies utilizing this strategy and possible mechanisms are discussed herein. Unprecedented examples of an a-elimination pathway from stannylmethyl allyl ethers as a major undesired product in some Wittig-Still rearrangements are reported.

  DOI：

  10.1021/jo401488y

文献信息

• Compounds for inhibiting KSP kinesin activity
  申请人：Tagat R. Jayaram

  公开号：US20060247320A1

  公开（公告）日：2006-11-02

  The present invention provides compounds of Formula I (wherein R 1 , R 3 , X, W, Z and ring Y are as defined herein). The present invention also provides compositions comprising these compounds that are useful for treating cellular proliferative diseases or disorders associated with KSP kinesin activity and for inhibiting KSP kinesin activity.

  本发明提供了I式化合物（其中R1、R3、X、W、Z和环Y的定义如本文所述）。本发明还提供了包含这些化合物的组合物，用于治疗与KSP肌动蛋白活性相关的细胞增殖性疾病或紊乱，并抑制KSP肌动蛋白活性。
• Matoba,K. et al., Chemical and pharmaceutical bulletin, 1976, vol. 24, p. 165 - 168
  作者：Matoba,K. et al.

  DOI：——

  日期：——
• FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY
  申请人：Schering Corporation

  公开号：EP1871776A2

  公开（公告）日：2008-01-02
• [EN] COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY<br/>[FR] COMPOSES SERVANT A INHIBER L'ACTIVITE DE LA KINESINE KSP
  申请人：SCHERING CORP

  公开号：WO2006098961A2

  公开（公告）日：2006-09-21

  [EN] The present invention provides compounds of Formula (I) (wherein R¹, R³, X, W, Z and ring Y are as defined herein). The present invention also provides compositions comprising these compounds that are useful for treating cellular proliferative diseases or disorders associated with KSP kinesin activity and for inhibiting KSP kinesin activity.
  [FR] L'invention concerne des composés de formule (I) (dans laquelle R¹, R³, X, W, Z et le cycle Y sont tels que définis dans la description). Cette invention concerne également des compositions comprenant ces composés, et servant à traiter des maladies liées à une prolifération cellulaire, ou des troubles qui sont associés à l'activité de la kinésine KSP, ainsi qu'à inhiber l'activité de cette kinésine KSP.
• Studies toward the Generation of Functionalized Quaternary Carbon Centers Relying on Wittig and Wittig–Still Allylic Ether Anionic Transpositions
  作者：Stephen Hanessian、Stéphane Dorich、Amit Kumar Chattopadhyay、Martin Büschleb

  DOI：10.1021/jo401488y

  日期：2013.9.6

  Although the [2,3]-Wittig and Wittig-Still rearrangements have long been known, their application in the generation of quaternary carbon centers in carbocyclic ring systems is sparse. Model studies utilizing this strategy and possible mechanisms are discussed herein. Unprecedented examples of an a-elimination pathway from stannylmethyl allyl ethers as a major undesired product in some Wittig-Still rearrangements are reported.