| 209462-51-1

• CAS: 209462-51-1
• 化学式: C₉H₂₇BNPSi
• 分子量: 219.19
• InChiKey: IHJZXQMTWGAYFK-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

• 作为产物：
  描述：

  dimethyl sulfide borane 、 triethyl(trimethylsilylimino)phosphorane 以 二氯甲烷 为溶剂， 以98%的产率得到
  参考文献：
  名称：

  Über das Tri(phosphorano)borazinium‐Monokation [H ₃ B ₃ (NPEt ₃ ) ₃ Cl ₂ ] ⁺ . Kristallstrukturen von Me ₃ SiNPR ₃  · BH ₃ (R = Et, Ph), [H ₃ B ₃ (NPEt ₃ ) ₃ Cl _1,85 Br _0,15 ]Br · CCl ₄ und des Hydrolyseproduktes NH ₄ [B ₅ O ₆ (OH) ₄ ] · 2 H ₂ O

  摘要：

  The crystal structures of the donor-acceptor complexes of the silylated phosphanimines with borane which are suitable as educts for the synthesis of tri(phosphorano)borazinium ions, Me3SiNPR3. BH3 (R = Et, Ph), are described. After addition of CCl4 the reaction of Me3SiNPEt3 with HBBr2. SMe2 in CH2Cl2 leads to the tri(phosphorano)borazinium monocation [H3B3(NPEt3)(3)Cl-2](+), which is characterized crystallographically as [H3B3. (NPEt3)(3)Cl1.85Br0.15]Br . CCl4. It complements the series of the tri(phosphorano) cations [H3B3(NPEt3)(3)](3+) and [H4B3(NPEt3)(3)](2+) by the monocation. NH4[B5O6(OH)(4)]. 2H(2)O can be isolated as product of hydrolysis of the tri(phosphorano)borazinium ions; its crystal structure is redetermined, because in the literature it is based on a wrong space group.Me3SiNPEt3. BH3 (1): Space group P (1) over bar, Z = 4, lattice dimensions at 213 K: a = 710.9(4), b = 1465.9(3), c= 1536.0(3)pm, alpha=107.05 degrees, beta=99.40(3)degrees, gamma=97.41(3)degrees; R= 0.0740.Me3SiNPPh3. BH3 (2): Space group P2(1)/c, Z = 4, lattice dimensions at 203K: a=934.6(1), b=1398.6(1), c= 1626.1(1) pm, beta= 103.52(1)degrees; R = 0.0556.[H3B3(NPEt3)(3)Cl1.85Br0.15]Br . CCl4 (3): Space group P2(1)/n, Z=4, lattice dimensions at 223K: a=1237.9(3), b= 1214.1(3), c = 2402.4(4) pm, beta= 93.52(1)degrees. 3 holds a B3N3 six-membered ring in a distorted boat conformation.NH4[B5O6(OH)(4)](.). 2H(2)O (4): Space group Aba2, Z = 4, lattice dimensions at 273K: a=1131.3(1), b=1103.0(1), c = 923.0(1) pm; R = 0.0564.

  DOI：

  10.1002/(sici)1521-3749(199910)625:10<1631::aid-zaac1631>3.0.co;2-#