(3-bromo-2-fluoropropyloxy)cyclododecane | 287965-66-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3-bromo-2-fluoropropyloxy)cyclododecane
• CAS: 287965-66-6
• 化学式: C₁₅H₂₈BrFO
• 分子量: 323.289
• InChiKey: KZSNFLIAIGCSMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.41
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (3-bromo-2-fluoropropyloxy)cyclododecane 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以90%的产率得到(2-fluoro-2-propenyloxy)cyclododecane
  参考文献：
  名称：

  Odor–Structure Relationships Using Fluorine as a Probe

  摘要：

  Eight ethers, nine esters and one ketone were submitted to a systematic structural variation by replacing a hydrogen atom in the vicinity of the oxofunction by fluorine and methyl. As long as steric factors dominate, a fluorine substituent alters the olfactory properties of the parent compound much less than a methyl substituent does. However, if it occupies a position adjacent to a carbonyl group the halogen may more profoundly affect the odor perception, presumably as a consequence of conformational changes. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00351-3
• 作为产物：
  描述：

  环十二醇 在 N-溴代丁二酰亚胺(NBS) 、 sodium amide 、 triethylamine tris(hydrogen fluoride) 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 15.0h， 生成 (3-bromo-2-fluoropropyloxy)cyclododecane
  参考文献：
  名称：

  Odor–Structure Relationships Using Fluorine as a Probe

  摘要：

  Eight ethers, nine esters and one ketone were submitted to a systematic structural variation by replacing a hydrogen atom in the vicinity of the oxofunction by fluorine and methyl. As long as steric factors dominate, a fluorine substituent alters the olfactory properties of the parent compound much less than a methyl substituent does. However, if it occupies a position adjacent to a carbonyl group the halogen may more profoundly affect the odor perception, presumably as a consequence of conformational changes. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00351-3