4,4-Dimethyl-1-(1-methyl-cyclopropyl)-pentan-3-one | 56068-47-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,4-Dimethyl-1-(1-methyl-cyclopropyl)-pentan-3-one
• 英文别名: 4,4-Dimethyl-1-(1-methylcyclopropyl)pentan-3-one；4,4-dimethyl-1-(1-methylcyclopropyl)pentan-3-one
• CAS: 56068-47-4
• 化学式: C₁₁H₂₀O
• 分子量: 168.279
• InChiKey: GCGKQEIAKLYNNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  频哪酮 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 生成 4,4-Dimethyl-1-(1-methyl-cyclopropyl)-pentan-3-one
  参考文献：
  名称：

  Reactions involving electron transfer. VII. Use of intramolecular reactions as a test for anion radical intermediates

  摘要：

  DOI：

  10.1021/ja00843a028

文献信息

• Compositions and Methods for Cancer Treatment
  申请人：Swamy Narasimha

  公开号：US20100144671A1

  公开（公告）日：2010-06-10

  Bromoacetoxycalcidiol (B3CD), which is structurally related to calcidiol, exhibits cytotoxic and apoptotic activity toward cancer cells, including highly aggressive neuroblastoma cells. A series of small molecules designed around the structure of B3CD is expected to have growth inhibitory and apoptogenic activities toward a wide range of malignancies. B3CD shows no apparent toxicity in vivo, indicating potential value as a chemotherapeutic agent which will be particularly useful in treating highly aggressive tumors.
• COMPOSITIONS AND METHODS FOR CANCER TREATMENT
  申请人：Swamy Narasimha

  公开号：US20120270839A1

  公开（公告）日：2012-10-25

  Bromoacetoxycalcidiol (B3CD), which is structurally related to calcidiol, exhibits cytotoxic and apoptotic activity toward cancer cells, including highly aggressive neuroblastoma cells. A series of small molecules designed around the structure of B3CD is expected to have growth inhibitory and apoptogenic activities toward a wide range of malignancies. B3CD shows no apparent toxicity in vivo, indicating potential value as a chemotherapeutic agent which will be particularly useful in treating highly aggressive tumors.
• US8853188B2
  申请人：——

  公开号：US8853188B2

  公开（公告）日：2014-10-07
• Reactions involving electron transfer. VII. Use of intramolecular reactions as a test for anion radical intermediates
  作者：Herbert O. House、Paul D. Weeks

  DOI：10.1021/ja00843a028

  日期：1975.5