tri-o-tolyltin chloride | 4583-39-5

• 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: tri-o-tolyltin chloride
• 英文别名: Sn(C6H4CH3-o)3Cl；SnCl(o-tolyl)3；tris(o-tolyl)tin chloride；tri-o-tolyl tin (1+); chloride；Tri-o-tolyl-zinn(1+); Chlorid；(o-MeC6H4)3SnCl；Tris(2-methylphenyl)stannanylium;chloride
• CAS: 4583-39-5
• 化学式: C₂₁H₂₁ClSn
• 分子量: 427.561
• InChiKey: FOWIIDZSHHTUAW-UHFFFAOYSA-M

物化性质

• 熔点：
  99.5 °C(Solv: ethanol (64-17-5))
• 沸点：
  455.2±55.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.82
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 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：

  tri-o-tolyltin chloride 在 dibenzoyl peroxide 作用下， 以 乙醚 为溶剂， 生成 (Z)-1-[2-(tri-o-tolylstannyl)vinyl]-1-cyclohexanol
  参考文献：
  名称：

  Synthesis, characterization and crystal structures of (Z)-1-[2-(tri-o-tolylstannyl)vinyl]-1-cyclohexanol and its o-tolylhalostannyl derivatives

  摘要：

  (Z)-1-[2-(tri-o-tolylstannyl)vinyl]-1-cyclohexanol (1) was synthesized by the additive reaction of 1-Ethynylcyclohexanol with tri-o-tolyltin hydride. One or two of the o-tolyl groups of compound (1) was substituted by Cl, Br, I to yield derivatives of the type CH2(CH2)(4)CH(OH)CH=CHSn(o-tol)(3-n)X-n [n = 1, X = Cl (2), Br (3), I (4); n = 2, X = Br (5)]. The compounds (1 - 5) characterized by elemental analysis, H-1 NMR and FT-IR Spectroscopy. The crystal structures of (1) and (4) have been determined by single crystal X-ray diffraction analysis. The Sn atom in (1) exhibits tetrahedral geometry distorted towards trigonal bipyramid due to a weak intramolecular interaction between Sn and the hydroxyl O atoms [2.764(5) Angstrom], while the Sn atom in (4) adopts a trigonal bipyramidal geometry with a significant Sn(1) <-- O interaction [2.571(4) Angstrom]. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(03)00552-0
• 作为产物：
  描述：

  四氯化锡 、 tetra-o-tolyltin 生成 tri-o-tolyltin chloride
  参考文献：
  名称：

  Kocheshkov, K. A.; Nad. M. M.; Aleksandrov, A. P., Berichte der Deutschen Chemischen Gesellschaft, 1934, vol. 67, p. 1348 - 1349

  摘要：

  DOI：

文献信息

• A study of the ring-opening of lactides and related cyclic esters by Ph₂SnX₂and Ph₃SnX compounds (X = NMe₂, OR)
  作者：Malcolm H. Chisholm、Ewan E. Delbridge

  DOI：10.1039/b300101f

  日期：——

  Ph3SnX reacts with L-lactide in the order X=NMe2∼OMe≫OPri>OBut in the initial ring-opening event. The rate of ring-opening of methyl substituted 1,4-dioxane-2,5-diones decreases with methyl substitution and ring-opening of 3,3,6,6-tetramethyl-1,4-dioxane-2,5-dione is not observed. From studies of the reaction between Ph3SnOPri and L-lactide the activation parameters ΔH≠=13(1) kcal mol−1 and ΔS≠=−37(3)

  pH值3 SNX发生反应与大号的顺序X -丙交酯= NME 2〜OME » OPR我> OBU吨在初始开环事件。开环率甲基 取代的1,4-二恶烷-2,5-二酮随着 甲基没有观察到3,3,6,6-四甲基-1,4-二恶烷-2,5-二酮的取代和开环。通过对Ph 3 SnOPr i与L-丙交酯之间反应的研究，确定了活化参数ΔH ≠ = 13（1）kcal mol -1和ΔS ≠ = -37（3）eu。Ph 3 SnNMe 2与环状反应酯类和碳酸亚丙酯在低温下得到可分离的开环产物。化合物Ph 3 Sn [OCHMeC（O）OCHMeC（O）X]（其中X = NMe 2，OMe）在室温下不稳定，产生Ph 3 Sn [OCHMeC（O）X]和Ph 3 Sn [OCHMeC （O）] ñ X，其中ñ ≥ 3，通过酯交换反应，与其它次要产物由于沿苯基/ OR组转移（即Ph 4 Sn）。Ph 2 Sn（NMe
• Studies in aryltin chemistry. X. Synthesis and NMR spectra (119Sn and 13C) of some meta- and ortho-substituted tetra- and triaryltin compounds. The crystal and molecular structures of tris(m-tolyl) - and tris(3,5-dimethylphenyl) tin(IV) chloride
  作者：Ivor Wharf、Michel G. Simard

  DOI：10.1016/s0022-328x(96)06782-4

  日期：1997.4

  Several new tetra-aryltin compounds, Ar4Sn (Ar = 3,5-(CH3)2C6H3, 3,5-Z2C6H3, and m-ZC6H4 (Z = F,Cl] and Ar3SnX [X = Cl, Br, I: Ar = 3,5-(CH3)2C6H3, m- and o-CH3OC6H4; X = Br; Ar = m-ZC6H4 (Z = F, Cl)] have been synthesized by literature methods and complete solution NMR data (119Sn, 13C) are reported for these and other meta- and ortho-substituted aryltins. Meta-substituents appear to exert electronic

  几种新的四aryltin化合物中，Ar 4的Sn（AR = 3,5-（CH 3）2 C ^ 6 ħ 3，3,5--Z 2 ç 6 ħ 3，和中号-ZC 6 ħ 4（Z = F， Cl]和Ar 3 SnX [X = Cl，Br，I：Ar = 3,5-（CH 3）2 C 6 H 3，m-和o -CH 3 OC 6 H 4； X = Br; Ar = m -ZC 6 H 4（Z ＝ F，Cl）]已经通过文献方法合成，并且报道了这些以及其他间和邻取代的芳基锡的完整溶液NMR数据（119 Sn，13 C）。亚取代基似乎对化学位移和偶合常数产生电子效应，但是对于原取代基，空间效应似乎占主导地位。晶体数据表明，与通过对位和邻位取代的Ar 3 SnX适应的单斜晶胞相比，间位取代的Ar 3 SnX具有三角形晶胞。报道了（完整的晶体结构米-CH 3 C 6 H 4）3 SnCl：R 3. a = 14.9262（15），Z
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sn: Org.Verb.2, 1.1.2.16, page 427 - 434
  作者：

  DOI：——

  日期：——
• Srivastava, T. N.; Bhattacharya, S. N., Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Srivastava, T. N.、Bhattacharya, S. N.

  DOI：——

  日期：——
• Some Aryltin-Lithium Complexes
  作者：Henry Gilman、Sanders D. Rosenberg

  DOI：10.1021/jo50017a015

  日期：1953.11