triethyl-[5-methoxy-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane | 1160553-72-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: triethyl-[5-methoxy-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane
• CAS: 1160553-72-9
• 化学式: C₂₂H₂₈BN₃OSi
• 分子量: 389.38
• InChiKey: FDKZFGDNPHGWIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.94
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  39.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  频哪醇 、 triethyl-[5-methoxy-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane 在 对甲苯磺酸 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到5-methoxy-1-triethylsilyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene
  参考文献：
  名称：

  히드록시아렌 붕소산 화합물의 열적 탈붕소수소화 및 이를 이용하여 페놀계 화합물의 오르소 또는 메타 위치에 작용기를 도입시킨 히드록시아렌 화합물의 제조방법

  摘要：

  This invention relates to a method for producing hydroxyarenes with introduced functional groups at the ortho or meta positions of phenolic compounds using the thermal deboronation of hydroxyarene boronic acid compounds. More specifically, the method involves substituting the ortho or para positions of phenol with boronic acid, introducing functional groups at the ortho or meta positions to produce hydroxyarene boronic acid compounds, and removing the boronic acid using thermal deboronation to obtain hydroxyarene compounds with functional groups at the ortho or meta positions. The method for producing hydroxyarene compounds according to this invention does not require metal catalysts such as palladium or iridium and does not involve harsh conditions such as strong acid or base, low temperature reactions, or anhydrous conditions, making it economical and simple to produce hydroxyarene compounds with functional groups at the ortho or meta positions from phenol.

  公开号：

  KR101572521B1
• 作为产物：
  描述：

  三乙基硅烷 、 5-(4-methoxyphenyl)-5,6-dihydrobenzo[e]pyrazolo[1,5-c][1,3,2]diazaborinine 在 RuH₂(CO)(PPh₃)₃ 、 norbornene 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以83%的产率得到triethyl-[5-methoxy-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane
  参考文献：
  名称：

  Ihara, Hideki; Suginome, Michinori, Journal of the American Chemical Society, 2009, vol. 131, p. 7502 - 7503

  摘要：

  DOI：