碘[三(三氟甲基)]锗烷 | 66348-18-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 中文名称: 碘[三(三氟甲基)]锗烷
• 中文别名: 三(三氟甲基)碘化锗
• 英文名称: tris(trifluoromethyl)germyl iodide
• 英文别名: tris(trifluoromethyl)germanium iodide；Germane, iodotris(trifluoromethyl)-；iodo-tris(trifluoromethyl)germane
• CAS: 66348-18-3
• 化学式: C₃F₉GeI
• 分子量: 406.513
• InChiKey: SNDJUKPGRATGFE-UHFFFAOYSA-N

物化性质

• 熔点：
  −40 °C(lit.)
• 沸点：
  72 °C(lit.)
• 密度：
  2.074 g/mL at 25 °C(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  3.67
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  9

安全信息

• TSCA：
  No
• 危险品标志：
  Xi

反应信息

• 作为反应物：
  描述：

  碘[三(三氟甲基)]锗烷 在 NH₃ 作用下， 以 not given 为溶剂， 以77%的产率得到bis(tris(trifluoromethyl)germyl)amine
  参考文献：
  名称：

  Properties of trifluoromethylgermanes. Adduct formation and substitution reactions of (CF3)nGeX4−n (n = 2–4) with NH3

  摘要：

  Crystalline adducts of compositions (CF3)4Ge.nRNH2 (R = H: n = 2, 3; R = CH3: n = 1, 2) with dissociation vapour pressures at 22-degrees-C of 70 (R = H) and 75 mbar (R = CH3) have been isolated. From their Raman spectra both NH3 adducts are judged to have a cis-configurated octahedral coordination at the germanium atom. Reaction of (CF3)3GeI with NH3 yielded the digermazane [(CF3)3Ge]2NH whereas the cyclic trimers [(CF3)2GeNR]3 (R = H, CH3) were obtained from (CF3)2GeI2 and RNH2. IR spectra show that NH3 and [(CF3)3Ge]2NH undergo equilibration to give (CF3)3GeNH2 in the gas phase, with simultaneous formation of a solid phase with the composition (CF3)3GeNH2.2NH3. Addition of trimethyl- or triethyl-amine to [(CF3)3Ge]2NH yields solid 1:1 adducts. The vibration spectra of [(CF3)3Ge]2NH, (CF3)3GeNH2 and of the NH3 adducts of (CF3)4Ge and of their deuterated analogues have been analyzed. A Ge-N-Ge bond angle of 130-degrees was deduced for [(CF3)3Ge]2NH from model force constant calculations.

  DOI：

  10.1016/0022-328x(91)83280-h
• 作为产物：
  描述：

  四碘化锗 、 二[三氟甲基]汞 以72%的产率得到碘[三(三氟甲基)]锗烷
  参考文献：
  名称：

  Reaction of bis(trifluoromethyl)mercury with group 4A tetrahalides. Preparation and stabilities of (trifluoromethyl)germanium and (trifluoromethyl)tin compounds

  摘要：

  DOI：

  10.1021/ja00474a013

文献信息

• Tris(trifluoromethyl)germylethynyl derivatives of biphenyl and anthracene: Synthesis, structure, and evidence of the intramolecular charge transfer on the germanium center
  作者：Nikolai L. Ermolaev、Ilya V. Lenin、Georgii K. Fukin、Andrei S. Shavyrin、Mikhail A. Lopatin、Olga V. Kuznetsova、Boris A. Andreev、Denis I. Kryzhkov、Stanislav K. Ignatov、Evgeny P. Chuhmanov、Nadezhda T. Berberova、Konstantin P. Pashchenko

  DOI：10.1016/j.jorganchem.2015.07.027

  日期：2015.11

  Symmetrical and unsymmetrical 4,4′-biphenyl, and 9,10-anthracene derivatives with tris(trifluoromethyl)germylethynyl –CC–Ge(CF3)3 substitutes have been prepared, their properties have been studied and compared with those of dimethyl(phenyl)silylethynyl –CC–Si(Ph)Me2 compounds. UV–visible absorption, steady-state, and time-resolved fluorescence spectra in solution for this germanium and silicon compounds

  制备了具有三（三氟甲基）甲基乙炔基-C C-Ge（CF 3）3取代基的对称和不对称的4,4'-联苯和9,10-蒽衍生物，并对其性质进行了研究，并与二甲基（苯基）甲硅烷基乙炔基-C C-Si（Ph）Me 2化合物。研究了该锗和硅化合物在溶液中的紫外可见吸收，稳态和时间分辨荧光光谱。在不对称的4-联苯基-C C-Ge（CF 3）3分子中发现了光诱导电子从芳族基团转移到锗中心的过程。具有–C C – Ge（CF 3）的蒽衍生物在晶体学上已经表征了3个替代品。
• Symmetry of Metal Chelates
  作者：Charles L. Perrin、Yeong-Joon Kim

  DOI：10.1021/ic000382+

  日期：2000.8.1

  Is a metal chelate symmetric, with the motion of the metal described by a single-well potential, or is it asymmetric, in a double-well potential? For hydrogen, this is the familiar question of the symmetry of a hydrogen bond. The molecular symmetry of MLn complexes (M = Li, Na, K, Al, Pd, Rh, Si, Sn, Ge, Sb, etc.; L is the anion of 3-hydroxy-2-phenylpropenal) in solution is now probed with the method

  金属螯合物是对称的，金属的运动是由单阱势描述的还是非对称的？对于氢，这是氢键对称性的常见问题。现在检测溶液中MLn配合物的分子对称性（M = Li，Na，K，Al，Pd，Rh，Si，Sn，Ge，Sb等; L是3-羟基-2-苯基丙烯醛的阴离子）用同位素摄动平衡的方法。合成了3-羟基-2-苯基丙烯醛-d0，-1-d和-1,3-d2的统计混合物，并将其转化为各种金属络合物。一些配合物显示两个醛信号，这意味着它们的配体是单齿的。对于LiL，NaL和KL，醛CH基的13C NMR同位素位移δCH（D）-δCH（H）小且为负，与L-是共振杂化体一致。它们很小，对AlL3，PdL2，Rh（CO）2L，SiX3L，SiL3 + X-，（CF3）3GeL，SbCl4L，（EtO）4TaL和（EtO）4NbL都是正的。正同位素位移是不寻常的，但是由于它们很小且与温度无关，因此它们是固有的，表明这些金属螯合物是
• New rhenium(III) semiclathrochelates with biorelevant apical substituents: Synthesis, X-ray structure and reactivity
  作者：Alexander S. Belov、Valentin V. Novikov、Genrikh E. Zelinskii、Anna V. Vologzhanina、Oleg A. Varzatskii、Boris F. Myasoedov、Yan Z. Voloshin

  DOI：10.1016/j.inoche.2016.07.019

  日期：2016.10

  formylphenylboron rhenium(III) complex with IGe(CF3)3 resulted in its transmetallation, leading to the germanium-capped semiclathrochelate. The analogous boron-capped semiclathrochelates with apical hexadecyl and cholesteryl groups were prepared using the direct template condensation of nioxime and hexadecylboronic acid on a rhenium(III) ion as a matrix, and by capping of the non-macrocyclic rhenium(III) tris-nioximate

  摘要 在金属银存在下，K2ReCl6、二甲基乙二肟和苯基硼酸酐的一锅还原缩合得到硼封端的三二肟铼（III）半笼螯合物及其还原的二亚胺-亚氨基肟衍生物的混合物，由侧配体产生。 - 以多米诺骨牌反应为中心；其中之一通过单晶 X 射线衍射表征。其铼 (III) 阳离子与两个硼桥连的亚氨基肟部分和一个非桥连的亚胺螯合配体配位。含硼桥接碎片的第三个氧原子也与该离子配位，从而得到一个带帽的三角棱柱（TP）ReN6O-配位多面体，其中 Re-O 距离远小于 Re-N 距离 1.966( 8) 和 2.029(11)–2.099(11) A，分别}。ReCl3((C6H5)3P)2(CH3CN) 与环己烷-1,2-二酮二肟（nioxime）和 3-甲酰基苯基硼酸的模板缩合得到甲酰基封端的三-nioximate 铼（III），经过进一步的 H+ 催化与异烟肼缩合得到具有顶端功能化载体取代基的半笼形螯合物腙。根据单晶
• (Trifluoromethyl)germanes. Preparation and properties of (CF3)2GeHX (X = H, D, F, Cl, Br, I, CH3) and CF3GeHnX3-n (X = H, D, CF2H, CH3)
  作者：R. Eujen、R. Mellies、E. Petrauskas

  DOI：10.1016/0022-328x(86)84031-1

  日期：1986.1

  observed, and (CF3)(CF2H)GeH2 has been characterized. Direct alkylation of GeH bonds was brought about by reaction with a mixture of RI and R′2Zn (R, R′= CH3, C2H5), and the methyl(trif]uoromethyl)germanes CF3GeH2(CH3), CF3GeH(CH3)2 and (CF3)2GeH(CH3) were isolated. For R = CD3, R′ = CH3 the product distribution can be accounted in terms of two competing mechanisms.

  研究了在酸性介质中用NaBH 4氢化（CF 3）n GeX 4- n（X =卤素，n = 1-3）。用NaBD 4和D 3 PO 4氘化得到部分氘化的物种CF 3 GeH n D 3- n和（CF 3）2 GeH n D 2- n具有合理的同位素纯度。分离出（CF 3）2 GeHBr并将其转化为卤化物（CF 3）2用AgX或HX处理GeHX（X = F，Cl，I）。已经观察到CF 2插入GeH键中，并且已经表征了（CF 3）（CF 2 H）GeH 2。的GeH键直接烷基化反应所带来的反应以和RI的混合物，R' 2的Zn（R，R'= CH 3，C 2 H ^ 5）和甲基（三氟] uoromethyl）锗CF 3的GeH 2分离出（CH 3），CF 3 GeH（CH 3）2和（CF 3）2 GeH（CH 3）。对于R = CD 3，R'= CH 3，可以用两种竞争机制来解释产品分布。
• Vanadocene complexes with asymmetric alkyne ligands, [Cp2V(1-2η-R1C=CR2)]
  作者：N. L. Ermolaev、V. K. Cherkasov

  DOI：10.1007/s11172-012-0203-6

  日期：2012.8

  A number of vanadocene complexes with asymmetrically substituted acetylenes, [Cp2V-(1-2η-R1C=CR2)] (R1 = Ph and SiMe2Ph; R2 = 4-biphenyl, 1-naphthyl, and Ge(CF3)3), were obtained and examined by ESR spectroscopy. The isotropic and anisotropic ESR spectra of the complexes containing the phenyl, biphenyl, naphthyl, or dimethyl(phenyl)silyl substituent in the alkyne ligand are typical of d1 complexes of vanadocene with alkynes. This is not the case of the complex containing the electron-withdrawing tris(trifluoromethyl)germyl group, whose isotropic and anisotropic ESR spectra show anomalous values of g factor and hyperfine coupling constant.

  获得了许多带有不对称取代乙炔的钒二烯络合物，[Cp2V-(1-2η-R1C=CR2)]（R1 = Ph 和 SiMe2Ph；R2 = 4-联苯、1-萘基和 Ge(CF3)3）并通过 ESR 光谱进行检查。炔配体中含有苯基、联苯基、萘基或二甲基(苯基)甲硅烷基取代基的络合物的各向同性和各向异性ESR光谱是钒二烯与炔烃d1络合物的典型特征。含有吸电子三（三氟甲基）甲锗基的配合物则不然，其各向同性和各向异性ESR谱显示出g因子和超精细耦合常数的异常值。