Bis-tert.-butylamino-phenylboran | 10375-18-5

• 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: Bis-tert.-butylamino-phenylboran
• 英文别名: Bis(t-butylamino)phenylborane；N-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine
• CAS: 10375-18-5
• 化学式: C₁₄H₂₅BN₂
• 分子量: 232.177
• InChiKey: SFGIOBIGJOFJNW-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 沸点：
  297.3±23.0 °C(Predicted)
• 密度：
  0.89±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.16
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Bis-tert.-butylamino-phenylboran 在 n-C₄H₉Li 作用下， 以 正己烷 为溶剂， 生成 4,4'-spirobis{1,3-di(tert-butyl)-2-phenyl-1,3-diaza-2-bora-4-tinacyclobutane}
  参考文献：
  名称：

  Fest, Dietmar; Habben, Carl D.; Meller, Anton, Chemische Berichte, 1990, vol. 123, p. 703 - 706

  摘要：

  DOI：
• 作为产物：
  描述：

  氯化苯汞 生成 Bis-tert.-butylamino-phenylboran
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.9, 5.2.4, page 189 - 199

  摘要：

  DOI：

文献信息

• Syntheses and X-ray structures of boraamidinate complexes of lithium, phosphorus, and tellurium
  作者：Tristram Chivers、Chantall Fedorchuk、Gabriele Schatte、Justin K Brask

  DOI：10.1139/v02-111

  日期：2002.7.1

  The dilithiated boraamidinate complexes Li₂[RB(N-t-Bu)₂]}₂ (1a, R = Ph; 1b, R = t-Bu), prepared by the reaction of B[N(H)-t-Bu]₃ with three equivalents of LiR, are shown by X-ray crystallography to have dimeric structures consisting of a distorted Li₄N₄ cube capped on two opposite faces by RB units. Reactions of 1a with TeCl₄ or PX₃ (X = Cl, Br) yielded complexes PhB(μ-N-t-Bu)₂TeCl₂ (2) and PhB(μ-N-t-Bu)₂PX (4a, X = Cl; 4b, X = Br), respectively. The structures of 2 and 4b were determined by X-ray crystallography. In the solid state, complex 2 forms a dimer with weak Te···Cl contacts (3.2411(6) Å). Complex 4b is monomeric with a P—Br bond length of 2.3047(11) Å. The reactions of 2 and 4a with the appropriate amounts of Li[N(H)-t-Bu] produce the monomeric tellurium imide PhB(μ-N-t-Bu)₂Te=N-t-Bu and the amido derivative PhB(μ-N-t-Bu)₂PN(H)-t-Bu (4c), respectively. The X-ray structure of 4c was determined. Deprotonation of 4c with n-BuLi produces the dimeric monolithium derivative Li[PhB(μ-N-t-Bu)₂PN-t-Bu]}₂ (5), which was shown by X-ray crystallography to have a centrosymmetric structure with a central transoid Li₂N₂ ring.Key words: boraamidinates, lithium, tellurium, phosphorus, X-ray structures.

  通过X射线晶体学显示，由B[N(H)-t-Bu]₃与三当量的LiR反应制备的二锂硼酰胺配合物Li₂[RB(N-t-Bu)₂]}₂（1a，R = Ph；1b，R = t-Bu）具有由RB单元在两个相对面上封顶的畸变Li₄N_{4>立方体二聚体结构。1a与TeCl4或PX3（X = Cl，Br）的反应分别生成配合物PhB(μ-N-t-Bu)2TeCl2（2）和PhB(μ-N-t-Bu)2PX（4a，X = Cl；4b，X = Br）。2和4b的结构经X射线晶体学确定。在固态中，配合物2形成具有弱Te···Cl接触（3.2411(6) Å）的二聚体。配合物4b是单聚体，具有P—Br键长为2.3047(11) Å。2和4a与适量的Li[N(H)-t-Bu]反应产生单聚体碲亚胺PhB(μ-N-t-Bu)2Te=N-t-Bu和酰胺衍生物PhB(μ-N-t-Bu)2PN(H)-t-Bu（4c）。4c的X射线结构已确定。4c与n-BuLi去质子化产生二聚体单锂衍生物Li[PhB(μ-N-t-Bu)2PN-t-Bu]}2（5），X射线晶体学显示其具有中心对称结构，具有中央反式Li2N2环。关键词：硼酰胺，锂，碲，磷，X射线结构。}
• Organoboron compounds
  作者：R. Harry Cragg、Tim J. Miller

  DOI：10.1016/s0022-328x(00)98666-2

  日期：1984.1

  The rate constants, for the reaction between phenyl isocyanate and a series of aminoboranes have been determined using infrared spectroscopy. The relative rates for bis-amino-phenylboranes are NHBun > NMe2 > NHBut, NHBun > NHBui > NHBus, and for are NMe2 > NHBut > OMe > Br > F > Cl > Ph.

  已使用红外光谱法测定了异氰酸苯酯与一系列氨基硼烷之间反应的速率常数。双氨基苯基硼烷的相对速率为NHBu n > NMe 2 > NHBu t，NHBu n > NHBu i > NHBu s，NMe 2 > NHBu t > OMe> Br> F> Cl> Ph的相对速率。
• Mechanism of substitution at a boron atom. Part II. Kinetics of reaction of o-nitroamines with boron halides
  作者：J. C. Lockhart

  DOI：10.1039/j19660000809

  日期：——

  The reaction of 2,4-dinitronaphthylamine with phenylboron dichloride and related reactions have been studied kinetically. Substitution by an SN2 pattern, or via an unstable intermediate is a possible mechanism. The energetics of boronium ion formation are discussed in relation to these mechanisms.

  动力学研究了2，4-二硝基萘胺与二氯化苯硼的反应及相关反应。可能是通过S N 2模式或不稳定的中间体取代。结合这些机理讨论了硼离子形成的能量学。
• Reactions of adducts of dichloro(phenyl)borane with aromatic amines in boiling benzene
  作者：J. R. Blackborow、J. C. Lockhart

  DOI：10.1039/j19710001343

  日期：——

  A comparison is made of the elimination of hydrogen chloride from certain adducts of arylamines with dichloro(phenyl)borane and the corresponding arylammonium trichloro(phenyl)borates, with previous data on related boron trichloride adducts.1 Between 1 and 2 of the theoretical number of mol of hydrogen chloride are evolved from dichloro(phenyl)borane systems, exactly 2 mol from the trichloro(phenyl)borates

  比较了从芳基胺与二氯（苯基）硼烷和相应的三氯（苯基）硼酸芳基铵的某些加合物中消除氯化氢的方法，以及以前有关三氯化硼加合物的数据。1从二氯（苯基）硼烷体系中放出理论摩尔数的1-2氯化氢，正好从三氯（苯基）硼酸盐中放出2摩尔，通常从三氯化硼加合物中逸出> 1摩尔。这些反应的产物很复杂，但是没有得到硼唑。二氯（苯基）硼烷的二甲基苯胺加合物没有生成气态氯化氢，这暗示了芳基胺环中硼的取代。
• Synthesis and X-ray crystal structure of a tricyclic lead–nitrogen–boron heterocycle
  作者：Andreas Heine、Dietmar Fest、Dietmar Stalke、Carl D. Habben、Anton Meller、George M. Sheldrick

  DOI：10.1039/c39900000742

  日期：——

  7-tetra-aza-2,6-diplumba-4,8-diboratricyclo[4.2.0.02,5]octane-1,5-diium-2,6-diide(1)hasbeen obtained from PhB(NButLi)2 and PbCl4in hexane or from PbCl2 intetrahydrofuran and structurally characterised by X-ray diffraction.

  1,3,5,7-四叔丁基-4,8-​​联苯-1,3,5,7-四氮杂-2,6-diplumba-4,8-​​二硼三环[4.2.0.0 2,5由在己烷中的PhB（NBu t Li）2和PbCl 4或从四氢呋喃中的PbCl 2获得了1，5-辛基-2，6-diide（1）辛烷，并通过X射线衍射对其结构进行了表征。