di-tert-butylchlorophosphidoborabenzene | 1394356-23-0

• 英文名称: di-tert-butylchlorophosphidoborabenzene
• CAS: 1394356-23-0
• 化学式: C₁₃H₂₃BClP
• 分子量: 256.563
• InChiKey: BDMQXDYBPBQPMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  di-tert-butylchlorophosphidoborabenzene 在 氢化钾 作用下， 以 苯 为溶剂， 反应 18.0h， 以81%的产率得到potassium di-tert-butylphosphidoboratabenzene
  参考文献：
  名称：

  Coordination of a Di-tert-butylphosphidoboratabenzene Ligand to Electronically Unsaturated Group 10 Transition Metals

  摘要：

  A new boratabenzene-phosphine ligand, di-tert-butylphosphidoboratabenzene, [DTBB](-), has successfully been synthesized by reduction of the corresponding di-tert-butylchlorophosphidoborabenzene compound (2). The species was structurally characterized with both K+ (3) and 18-crown-6.K+ (4) as counterions. Reactions of two equivalents of di-tert-butylphosphidoboratabenzene with NiBr2(PPh3)(2), PtCl2, and PtCl2(COD) were undertaken and were successful in yielding three new organometallic boratabenzene species, (mu-kappa-eta(6)-C5H5BP(tBu)(2))(2)Ni-2 (5), (eta(3)-(C,B,P)-C5H5BP(tBu)(2))(2)Pt (6), and (eta(3)-(C,B,P)-C5H5BP(tBu)(2))(kappa-C8H12(P(tBu)(2)BC5H5)Pt (7), respectively. The di-tert-butylphosphidoboratabenzene species displays a remarkable tendency to coordinate to transition metal species in two distinct modes closely associated with other reported boratabenzene and allyl-like interactions. Also of interest is the ability for di-tert-butylphosphidoboratabenzene to be able to coordinate within monomeric as well as dimeric transition metal compounds. The synthesis and characterization will be discussed in detail along with DFT calculations in order to validate these research findings.

  DOI：

  10.1021/om300668u
• 作为产物：
  描述：

  1-chloro-2-(trimethylsilyl)boracyclohexa-2,5-diene 、 二叔丁基氯化膦 以 苯 为溶剂， 反应 2.5h， 生成 di-tert-butylchlorophosphidoborabenzene
  参考文献：
  名称：

  Coordination of a Di-tert-butylphosphidoboratabenzene Ligand to Electronically Unsaturated Group 10 Transition Metals

  摘要：

  A new boratabenzene-phosphine ligand, di-tert-butylphosphidoboratabenzene, [DTBB](-), has successfully been synthesized by reduction of the corresponding di-tert-butylchlorophosphidoborabenzene compound (2). The species was structurally characterized with both K+ (3) and 18-crown-6.K+ (4) as counterions. Reactions of two equivalents of di-tert-butylphosphidoboratabenzene with NiBr2(PPh3)(2), PtCl2, and PtCl2(COD) were undertaken and were successful in yielding three new organometallic boratabenzene species, (mu-kappa-eta(6)-C5H5BP(tBu)(2))(2)Ni-2 (5), (eta(3)-(C,B,P)-C5H5BP(tBu)(2))(2)Pt (6), and (eta(3)-(C,B,P)-C5H5BP(tBu)(2))(kappa-C8H12(P(tBu)(2)BC5H5)Pt (7), respectively. The di-tert-butylphosphidoboratabenzene species displays a remarkable tendency to coordinate to transition metal species in two distinct modes closely associated with other reported boratabenzene and allyl-like interactions. Also of interest is the ability for di-tert-butylphosphidoboratabenzene to be able to coordinate within monomeric as well as dimeric transition metal compounds. The synthesis and characterization will be discussed in detail along with DFT calculations in order to validate these research findings.

  DOI：

  10.1021/om300668u