5-tert-Butyl-tetrahydro-pyran-2-one | 125263-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 5-tert-Butyl-tetrahydro-pyran-2-one
• 英文别名: 5-Tert-butyloxan-2-one
• CAS: 125263-12-9
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: NCECTCZSUFWMDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-(叔丁基)环戊酮 在 间氯过氧苯甲酸 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以100%的产率得到5-tert-Butyl-tetrahydro-pyran-2-one
  参考文献：
  名称：

  Koch, Stacie S. Canan; Chamberlin, A. Richard, Synthetic Communications, 1989, vol. 19, # 5and6, p. 829 - 834

  摘要：

  DOI：

文献信息

• A stable 1:1 lithium acylcyanocuprate. Dependence of the stability of acylcyanocuprates on the nature of the alkyl substituent.
  作者：Dietmar Seyferth、Richard C. Hui

  DOI：10.1016/s0040-4039(00)84288-4

  日期：1986.1

  Acylcuprates obtained by carbonylation of R(CN)CuLi cuprates (R = t-Bu, sec-Bu) at low temperature are effective in the direct nucleophilic 1,4-acylation of α,β-unsaturated ketones and aldehydes. The R = t-Bu reagent is sufficiently stable so that it can be used even at room temparature. The R = sec-Bu reagent is best used at −110°C.

  在低温下通过R（CN）CuLi铜酸盐的羰基化获得的酰基铜盐（R = t-Bu，sec-Bu）在α，β-不饱和酮和醛的直接亲核1,4-酰化中有效。R = t-Bu试剂足够稳定，因此即使在室温下也可以使用。R = sec-Bu试剂最好在-110°C下使用。
• KOCH, STACIE S. CANAN;CHAMBERLIN, A. RICHARD, SYNTH. COMMUN., 19,(1989) N-6, C. 829-833
  作者：KOCH, STACIE S. CANAN、CHAMBERLIN, A. RICHARD

  DOI：——

  日期：——
• CANNABIDINOID DERIVATIVES
  申请人：SUTTER WEST BAY HOSPITALS

  公开号：US20130209483A1

  公开（公告）日：2013-08-15

  The disclosure relates to cannabinoid derivative compounds, pharmaceutical compositions made thereof, and methods for treating various diseases and disorders including cancer.
• RESORCINOL DERIVATIVES
  申请人：Sutter West Bay Hospitals

  公开号：US20180170846A1

  公开（公告）日：2018-06-21

  The disclosure relates to cannabinoid derivative compounds, pharmaceutical compositions made thereof, and methods for treating various diseases and disorders including cancer.
• COMPOUNDS, DEVICES, AND USES THEREOF
  申请人：SIGILON THERAPEUTICS, INC.

  公开号：US20200039943A1

  公开（公告）日：2020-02-06

  The present invention provides compounds, e.g., compounds of Formula (I) and pharmaceutically acceptable salts, solvates, hydrates, tautomers, stereoisomers, isotopically labeled derivatives, and compositions thereof. Also provided are implantable elements (e.g., devices and materials) comprising the same, as well as methods of use thereof, e.g., for treating or preventing a disease, disorder, or condition.