2,2,4-Trimethyl-tetrahydro-pyran-4-ol | 127986-34-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2,2,4-Trimethyl-tetrahydro-pyran-4-ol
• 英文别名: 2,2,4-Trimethyloxan-4-ol
• CAS: 127986-34-9
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: IWXWZPOCJPWVAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  四氢-2 2-二甲基-4H-吡喃-4-酮 、 甲基碘化镁 在 乙醚 作用下， 生成 2,2,4-Trimethyl-tetrahydro-pyran-4-ol
  参考文献：
  名称：

  Nasarow; Golowin, Zhurnal Obshchei Khimii, 1956, vol. 26, p. 477,482; engl. Ausg. S. 501, 505

  摘要：

  DOI：

文献信息

• Novel mercuric triflate-catalyzed condensation of ketones and homoallyl alcohols
  作者：Mugio Nishizawa、Tokuko Shigaraki、Hiroko Takao、Hiroshi Imagawa、Takumichi Sugihara

  DOI：10.1016/s0040-4039(98)02551-9

  日期：1999.2

  Novel condensation of ketones with homoallyl alcohols catalyzed by Hg(OTf)2 has been developed, generating a 6-membered ring ether alcohol, bisether, and olefins. The reaction is initiated b hemiacetal formation, and cyclization of the resulting oxonium cation provides the 6-membered ring carbocation as a common intermediate. Thus, it is a catalytic Prins-type condensation of non-activated homoallyl

  已开发出由Hg（OTf）2催化的酮与均烯丙基醇的新型缩合反应，生成六元环醚醇，双醚和烯烃。该反应通过半缩醛的形成而引发，并且所形成的氧鎓阳离子的环化提供了6-元环碳阳离子作为常见的中间体。因此，它是未活化的均烯丙基醇和普通酮的催化普林斯型缩合反应。
• Reactions on a surface. 1. Condensation of 3-methyl-3-buten-1-ol with carbonyl compounds on SiO2 and Al2O3
  作者：U. G. Ibatullin、Yu. V. Pavlov、M. G. Safarov

  DOI：10.1007/bf00470686

  日期：1989.10
• [EN] USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS FOR TREATING CANCER<br/>[FR] UTILISATION D'INHIBITEURS D'ATR EN ASSOCIATION AVEC DES INHIBITEURS DE PARP POUR LE TRAITEMENT DU CANCER
  申请人：[en]REPARE THERAPEUTICS INC.

  公开号：WO2022261777A1

  公开（公告）日：2022-12-22

  Disclosed are methods of treating a cancer and of inducing cell death in an aberrant cancel cell in a subject using a combination of an ATR inhibitor and PARP inhibitor, wherein the PARP inhibitor may be a compound of formula (III) or (IV), or a pharmaceutically acceptable salt thereof; and wherein the cancer/aberrant cell cancer has a loss of function of ATM, BRCA2, RNAse H2A, RNAse H2B and/or CDK12; or is an ALT+ cancer/cancer cell. In formula (III): X1and X2are each N or C(H); X3is N and C(R4), R4is H or fluoro; R1is C1-4alkyl or C1-4fluoroalkyl; R2is H, halo, C1-4alkyl, or C1-4fluoroalkyl; and R3is H or C1-4alkyl. In formula (IV): R1is H, C1-4alkyl, C3-6cycloalkyl, C1-4fluoroalkyl, and C1-4fliioroalkyloxy; R2is H, halo, C1-4alkyl, or C1-4fhioroalkyl; R3is H or C1-4alkyl; and R4is halo or C1-4alkyl.