1,4-Bis-(1,1,1,3,3,3-hexamethyl-disilaphosphan-2-yl)-benzene | 117949-26-5

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 1,4-Bis-(1,1,1,3,3,3-hexamethyl-disilaphosphan-2-yl)-benzene
• 英文别名: [4-bis(trimethylsilyl)phosphanylphenyl]-bis(trimethylsilyl)phosphane
• CAS: 117949-26-5
• 化学式: C₁₈H₄₀P₂Si₄
• 分子量: 430.805
• InChiKey: JEVNFMKNTYMGKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.24
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,4,6-tri-tert-butylphenylphosphaketene 、 1,4-Bis-(1,1,1,3,3,3-hexamethyl-disilaphosphan-2-yl)-benzene 生成 [(2,4,6-tritert-butylphenyl)phosphanylidene-trimethylsilyloxymethyl]-[4-[[(2,4,6-tritert-butylphenyl)phosphanylidene-trimethylsilyloxymethyl]-trimethylsilylphosphanyl]phenyl]-trimethylsilylphosphane
  参考文献：
  名称：

  APPEL, R.;FOLLING, P.;JOSTEN, B.;SCHUHN, W.;WENZEL, H. V.;KNOCH, F., Z. ANORG. UND ALLG. CHEM., 556,(1988) N 1, 7-22

  摘要：

  DOI：
• 作为产物：
  描述：

  三甲基氯硅烷 、 (4-膦基苯基)膦 在 甲基锂 作用下， 以 乙醚 为溶剂， 生成 1,4-Bis-(1,1,1,3,3,3-hexamethyl-disilaphosphan-2-yl)-benzene
  参考文献：
  名称：

  Poly(p-phenylenephosphaalkene): A π-Conjugated Macromolecule Containing PC Bonds in the Main Chain

  摘要：

  DOI：

  10.1002/1521-3773(20020703)41:13<2389::aid-anie2389>3.0.co;2-6

文献信息

• Phosphorus Copies of PPV:  π-Conjugated Polymers and Molecules Composed of Alternating Phenylene and Phosphaalkene Moieties
  作者：Vincent A. Wright、Brian O. Patrick、Celine Schneider、Derek P. Gates

  DOI：10.1021/ja060816l

  日期：2006.7.1

  A new class of pi-conjugated macromolecule, poly(p-phenylenephosphaalkene) (PPP), is reported. PPPs are phosphorus analogues of the important electronic material poly(p-phenylenevinylene) (PPV) where PdC rather than CdC bonds space phenylene moieties. Specifically, PPPs [sC(6)R(4)-P=C(OSiMe3)sC(6)R'(4)s C(OSiMe3)=P-](n) (1: R = H, R = Me; 11: R = Me, R' = H) were synthesized by utilizing the Becker reaction of a bifunctional silylphosphine, 1,4-C6R4[P(SiMe3)(2)](2), and diacid chloride 1,4-C6R4[COCl](2). Several model compounds for PPP are reported. Namely, mono(phosphaalkene)s RsPdC(OSiMe3)s R' (4: R= Ph, R' = Mes; 7: R = Mes, R' = Ph), C-centered bis(phosphaalkene)s RsPdC(OSiMe3)-C6R'(4)-C(OSiMe3) dPsR (5: R = Ph, R' = Me; 8: R = Mes, R' = H), and P-centered bis(phosphaalkene)s R-C( OSiMe3) dPsC(6)R'4-P=C(OSiMe3) sR (6: R = Mes, R' = H; 10: R = Ph, R = Me). Remarkably, selective Z-isomer formation (i.e., trans arylene moieties) is observed for PPPs when bulky P-substituents are employed while E/Z-mixtures are otherwise obtained. X-ray crystal structures of Z-7, Z, Z-8, and Z, Z-10 suggest moderate pi-conjugation. The twist angles between the PdC plane and unsubstituted arenes are 16 degrees-26 degrees, while those between the PdC plane and methyl-substituted arenes are 59-67. The colored PPPs and their model compounds were studied by UV/vis spectroscopy, and the results are consistent with extended pi-conjugation. Specifically, weakly emissive polymer E/Z-1 (lambda(max)) 338 nm) shows a red shift in its absorbance from model E/Z-4 (lambda(max)) 310 nm), while a much larger red shift is observed for Z-11 (lambda(max) = 394 nm) over Z-7 (lambda(max) = 324 nm).