N-triphenylstannyl-4,5-benzisothiazol-3(2H)-one 1,1-dioxide | 83171-58-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: N-triphenylstannyl-4,5-benzisothiazol-3(2H)-one 1,1-dioxide
• 英文别名: 3-Triphenylstannyloxy-benzisothiazole 1,1-dioxide；(1,1-dioxo-1,2-benzothiazol-3-yl)oxy-triphenylstannane
• CAS: 83171-58-8
• 化学式: C₂₅H₁₉NO₃SSn
• 分子量: 532.207
• InChiKey: DDNDPTPLKMRGTE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (dibenzylidene propylene diamine o,o'-dihydroxo) oxo vanadium (IV) 、 N-triphenylstannyl-4,5-benzisothiazol-3(2H)-one 1,1-dioxide 以 乙腈 为溶剂， 以69%的产率得到
  参考文献：
  名称：

  1:1 Adducts of triphenyltin chloride with oxovanadium(IV) tetradentate Schiff-base complexes

  摘要：

  Triphenyltin chloride-N,N'-ethylenebis(salicylideneiminato)oxovanadium(IV) (1/1), which crystallises from acetonitrile with half a molecule of the solvent, is a heterodinuclear entity that displays an almost linear tin-oxygen-vanadium unit [Sn-O-V = 172.7(2)degrees; Sn-O = 2.382(2), V-O = 1.614(3) Angstrom]. The tin atom shows approximately trigonal bipyramidal coordination in the adduct with the axial sites occupied by the O and Cl atoms. On the other hand, the vanadium atom is in square-pyramidal coordination, and the vanadium-containing moiety is 68% displaced along the Berry pseudorotation pathway from trigonal bipyramidal towards square pyramidal, compared with the 83% mean displacement for [VO(salen)] itself. The corresponding displacements for the vanadium moiety in Ph3SnCl . VO(hap-1,2-pn). 2CH(3)CN are 94% [Sn-O = 2.405(6), V-O = 1.627(6) Angstrom; Sn-O-V = 175.5(3)degrees] and 89% in Ph3SnCl . VO[salen(3-OMe)(2)]. CH3CN [Sn-O = 2.428(2), V-O = 1.625(2) Angstrom; Sn-O-V = 167.5(1)degrees] [H(2)hap-1,2-pn = N,N'-methylmethylenebis(2-phenolatoacetophenoneimine); H(2)salen(3-OMe)(2) = N,N'-ethylenebis(3-methoxysalicylideneimine)]. The [VO(salen)] adduct of N-triphenylstannyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide has also been synthesised, and characterised by spectroscopic measurements. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00230-3
• 作为产物：
  描述：

  三苯基氢氧化锡 、 糖精 以100%的产率得到
  参考文献：
  名称：

  SHCHERBAKOV, V. I.;ANISIMOV, A. A.;STOLYAROVA, N. E.;FELDMAN, M. S.;SMIRN+, IZV. VUZOV. XIMIYA I XIM. TEXNOL., 1982, 25, N 6, 690-694

  摘要：

  DOI：

文献信息

• N-di- and tri-organotin(IV) derivatives of saccharin
  作者：F.A.K. Nasser、J.J. Zuckerman

  DOI：10.1016/0022-328x(84)80135-7

  日期：1984.5

  Vibrational spectroscopic band assignments are made for the ν(CO) (1710–1590 cm−), ν(SO2) (1375–1115 cm−), ν(SnC) (600–500 cm−) and ν(SnNCO) (380–349 cm−). No fragments of mass greater than the parent molecular ion or containing more than one tin atom are seen in the mass spectra at 12 eV of any of the compounds studied. Only in the triphenyltin(IV) derivative is the parent molecular ion seen. The tin-119m

  糖精的11种N-二-和三-有机锡（IV）衍生物，R n Sn [NC（O）C 6 H 4 SO 2 ] 4- n，其中n = 2，R = CH 3，C 2 H 5， nC 4 H 9，C 6 H 5 nC 8 H 17，其中n = 3，R = CH 3，C 2 H 5，nC 3 H 7，nC 4 H 9，C 6 H如图5所示，通过使相应的有机锡（IV）氯化物与糖精的铵盐在甲醇中反应，以高收率合成了cC 6 H 11。产品为无色晶体，可溶于有机溶剂。对ν（CO）（1710–1590 cm -），ν（SO 2）（1375-1115 cm -），ν（SnC）（600–500 cm −）和ν（Sn NCO）（380-349厘米- ）。在所研究的任何化合物中，在12 eV的质谱图中均未观察到质量大于母体分子离子或包含一个以上锡原子的碎片。仅在三苯基锡（IV）衍生物中可以看到母体分子离子。锡119