2-(dimethylaminophenyl)diphenylmethanolatoborondifluoride | 861709-62-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(dimethylaminophenyl)diphenylmethanolatoborondifluoride
• 英文别名: 3,3-Difluoro-2,2-dimethyl-5,5-diphenyl-4-oxa-2-azonia-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene；3,3-difluoro-2,2-dimethyl-5,5-diphenyl-4-oxa-2-azonia-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene
• CAS: 861709-62-8
• 化学式: C₂₁H₂₀BF₂NO
• 分子量: 351.204
• InChiKey: QOHYIJKNNORSSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  dilithium;[2-(dimethylamino)phenyl]-diphenylmethanolate 、 trifluoroborane diethyl ether 以 乙醚 、 甲苯 为溶剂， 以85%的产率得到2-(dimethylaminophenyl)diphenylmethanolatoborondifluoride
  参考文献：
  名称：

  Synthesis and Characterization of Novel Intramolecularly Base-stabilized Boron Halides. Molecular Structures of 1-X2BOCR1R2-2-NMe2C6H4 [R1 = R2 = Ph, X = Cl or F; R1 = R2 = Cy, X = Cl] and [1-LiN(Ph)C(H)Ph-2-NMe2C6H4]2

  摘要：

  AbstractThe lithium alkoxides [1‐LiOCR1R2‐2‐NMe2C6H4]2 [R1 = R2 = Ph (1), Cy (2)] react with BCl3 or BF3(Et2O) to give 1‐X2BOCR1R2‐2‐NMe2C6H4 [R1 = R2 = Ph, X = Cl (4); R1 = R2 = Cy, X = Cl (5); R1 = R2 = Ph, X = F (6); R1 = R2 = Cy, X = F (7)]. The lithium amide [1‐LiN(Ph)C(H)Ph‐2‐NMe2C6H4]2 (3) reacts with BCl3 to give 1‐Cl2BN(Ph)C(H)Ph‐2‐NMe2C6H4 (8). Compounds 4 ‐ 8 were characterized spectroscopically (NMR, IR, MS), and crystal structures were determined for 3 ‐ 6.

  DOI：

  10.1002/zaac.200400375

文献信息

• Synthesis and Characterization of Novel Intramolecularly Base-stabilized Boron Halides. Molecular Structures of 1-X2BOCR1R2-2-NMe2C6H4 [R1 = R2 = Ph, X = Cl or F; R1 = R2 = Cy, X = Cl] and [1-LiN(Ph)C(H)Ph-2-NMe2C6H4]2
  作者：Harbi Tomah Al-Masri、Joachim Sieler、Steffen Blaurock、Peter L�nnecke、Peter C. Junk、Evamarie Hey-Hawkins

  DOI：10.1002/zaac.200400375

  日期：2005.2

  Molekulstrukturen von 1-X2BOCR1R2-2-NMe2C6H4 [R1 = R2 = Ph, X = Cl, F; R1 = R2 = Cy, X = Cl] und [1-LiN(Ph)C(H)Ph-2-NMe2C6H4]2 Die Lithiumalkoxide [1-LiOCR1R2-2-NMe2C6H4]2 [R1 = R2 = Ph (1), Cy (2)] reagieren mit BCl3 oder BF3(Et2O) zu 1-X2BOCR1R2-2-NMe2C6H4 [R1 = R2 = Ph, X = Cl (4); R1 = R2 = Cy, X = Cl (5); R1 = R2 = Ph, X = F (6); R1 = R2 = Cy, X = F (7)]. Das Lithiumamid [1-LiN(Ph)C(H)Ph-2-NMe2C6H4]2