2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 1155264-55-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS: 1155264-55-3
• 化学式: C₁₆H₂₁BF₂O₂
• 分子量: 294.149
• InChiKey: SGCKTGMKSJJZRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.11
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 、 7-(4-(tert-butyl)naphthalen-2-yl)-2-iodo-3-methylthieno[2,3-c]pyridine 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylthieno[2,3-c]pyridine
  参考文献：
  名称：

  ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES

  摘要：

  Provided are compounds comprising a ligand L A , wherein the ligand L A comprises a structure of wherein: moiety A is a monocyclic or polycyclic fused ring system comprising one or more 5-membered and/or 6-membered carbocyclic or heterocyclic rings; at least one of R or R′ is fluorine; n is 0, 1, 2, or 3; each of R A , R, and R′ is independently a hydrogen or a substituent and combinations thereof; wherein the ligand L A is coordinated to a metal M selected from the group consisting of Os, Ir, Pd, Pt, Cu, Ag, and Au, Also provided are formulations comprising these compounds. Further provided are OLEDs and related consumer products that utilize these compounds.

  公开号：

  US20220324892A1
• 作为产物：
  描述：

  6-溴-2-四氢萘酮 在 2-双环己基膦-2',6'-二甲氧基联苯 、 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium acetate 、 [双(2-甲氧基乙基)胺]三氟化硫 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 为溶剂， 生成 2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  参考文献：
  名称：

  ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES

  摘要：

  Provided are compounds comprising a ligand L A , wherein the ligand L A comprises a structure of wherein: moiety A is a monocyclic or polycyclic fused ring system comprising one or more 5-membered and/or 6-membered carbocyclic or heterocyclic rings; at least one of R or R′ is fluorine; n is 0, 1, 2, or 3; each of R A , R, and R′ is independently a hydrogen or a substituent and combinations thereof; wherein the ligand L A is coordinated to a metal M selected from the group consisting of Os, Ir, Pd, Pt, Cu, Ag, and Au, Also provided are formulations comprising these compounds. Further provided are OLEDs and related consumer products that utilize these compounds.

  公开号：

  US20220324892A1