Bis-(β-methoxycarbonylethyl)-dibrom-stannan | 10177-71-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Bis-(β-methoxycarbonylethyl)-dibrom-stannan
• CAS: 10177-71-6
• 化学式: C₈H₁₄Br₂O₄Sn
• 分子量: 452.715
• InChiKey: NNCNHNICUGZXST-UHFFFAOYSA-L

物化性质

• 熔点：
  139-141 °C
• 沸点：
  352.6±52.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  15.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  溴 、 3,3'-dipropyl stannanediyl-di-propionic acid dimethyl ester 以 not given 为溶剂， 生成 Bis-(β-methoxycarbonylethyl)-dibrom-stannan
  参考文献：
  名称：

  IVB族元素的二炔基化合物与羰基金属的反应

  摘要：

  IV B族元素与通式为[R 2 MFe（CO）4 ] 2，[R 2 MFe（CO）3 PPh 3 ] 2和R 2 M（C⋮C·R'）2 [ Co（CO）3 ] 4（其中R，R'＝烷基或芳基； M ＝ Si，Ge和Sn）已经从IV B族元素的炔基化合物与金属羰基的反应获得。描述了复合物的制备，性质和反应。从红外和核磁共振光谱推断结构。

  DOI：

  10.1039/j19670001783

文献信息

• [X-(CH2)n-]2SnBr2 (X=Cl, CN, COOCH3; n=2—4) from the Activated Element — Crystal Structure of (H3COOCC2H4)2SnBr2
  作者：Sabine Schlecht、Robert Dinnebier、Karen Friese

  DOI：10.1002/1521-3749(200205)628:4<725::aid-zaac725>3.0.co;2-u

  日期：2002.5

  alkyltin bromides have been synthesized from solvochemically activated tin metal and the corresponding alkyl bromide under mild conditions (95°C) and without the use of a catalyst. This synthetic method tolerates a variety of functional groups such as chloride, cyanide, or a carboxylic ester and can be applied to different chain lengths. Crystal structure analysis of as-prepared [(H3COOCC2H4)2SnBr2] shows

  有机官能化烷基溴化锡已在温和条件 (95 °C) 和不使用催化剂的情况下由溶剂化学活化的锡金属和相应的烷基溴合成。这种合成方法可耐受多种官能团，如氯化物、氰化物或羧酸酯，并可应用于不同的链长。所制备的 [(H3COOCC2H4)2SnBr2] 的晶体结构分析显示锡原子接近八面体环境，这是通过两个羧酸酯官能团的羰基形成分子内环而产生的。[(H3COOCC2H4) 2SnBr2]：空间群 P21 / n，Z = 4，293 K 时的晶格参数：a = 10.32501 (8) A, b = 16.2350 (1) A, c = 8.14838 (6) A, b = 95.2319 (5)°，R(F) = 0.056。该化合物与 [(H3COOCC2H4) 2SnCl2] 同型。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sn: Org.Verb.3, 1.1.3.3, page 36 - 40
  作者：

  DOI：——

  日期：——
• Noltes, J. G.; Kerk, G. J. M. van der, Functionally Substituted Organotin Compounds, Tin Research Institute, Greenford, Middlesex, 1958, S. 1/128
  作者：Noltes, J. G.、Kerk, G. J. M. van der

  DOI：——

  日期：——
• Some further studies of estertin compounds. crystal structures of [NEt4][MeO2CCH2CH2Sn(dmio)2] (dmio = 1,3-dithiole-2-one-4,5-dithiolato) and (MeO2CCH2CH2)2SnX2[X2 = I2, (NCS)2 or Cl, Br]
  作者：Revathi Balasubramanian、Zahid H. Chohan、Solange M.S.V. Doidge-Harrison、R.Alan Howie、James L. Wardell

  DOI：10.1016/s0277-5387(97)00226-x

  日期：1997.10

  Estertin compounds, (MeO2CCH2CH2)(2)SnX2 [X-2 = I-2 (2); X-2 = Br-2 (9); X-2 = Cl,Br (4); or X-2 = (NCS), (3)] have been obtained by halide exchange reactions of (MeO2CCH2CH2)(2)SnCl2. Crystal structure determinations of 2-4 revealed chelating MeO2CCH2CH2 units with distorted octahedral geometries at tin. The Sn-O bond lengths in the isothiocyanato complex, 3, are shorter [2.390(11) to 2.498(12), mean 2.439 Angstrom], with the chelate bite angles, C-Sn-O, larger [74.3(7) to 78.2(6), mean 76.0 degrees] than those in the halide analogues 2 and 4 [Sn-O = 2.519(2) to 2.541(8), mean 2.530 Angstrom; C-Sn-O 72.8(3) to 73.9(4), mean 73.3 degrees]. H-1, C-13 and Sn-119 NMR and IR spectra of 2-4 and 9 were determined in CDCl3 solution : the NMR spectra of (MeO2CCH2CH2)(2)SnX2 show the following trends: (i) both delta(1)H(alpha) and delta(13)C(alpha), increase and (ii) both (2)J(Sn-H) and (1)J(Sn-C) decrease in the sequence X-2 = (NCS)(2), Cl-2, ClBr, Br-2 and I-2. The MeO2CCH2CH2 and dmio groups (dmio = 1,3-dithiole-2-one-4,5-dithiolato) are all chelating groups in (MeO2CCH2CH2)(2)Sn(dmio) (5). As shown by X-ray crystallography, the tin atom in the anion of solid [Q][MeO2CCH2CH2Sn(dmio)(2)] 6 (Q = NEt4) forms 5 strong bonds [to C and the 4 thiolato S atoms, Sn-S 2.459(2) to 2.559(2) Angstrom], arranged in a near trigonal bipyramidal array. There is an additional intramolecular, but weaker, interaction with the carbonyl oxygen atom [Sn-O = 3.111(5) Angstrom]; v(C=O) = 1714 cm(-1) in solid 6 (Q = NEt4). NMR spectra of 5 and 6 are also reported. (C) 1997 Elsevier Science Ltd.
• Garad, M. V.; Gopinathan, Sarada; Gopinathan, C., Zeitschrift für anorganische und allgemeine Chemie
  作者：Garad, M. V.、Gopinathan, Sarada、Gopinathan, C.

  DOI：——

  日期：——