1,3-dibromo-1,2,3-tris(dimethylamino)triborane(5) | 133911-59-8

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: 1,3-dibromo-1,2,3-tris(dimethylamino)triborane(5)
• 英文别名: N-bis[bromo(dimethylamino)boranyl]boranyl-N-methylmethanamine
• CAS: 133911-59-8
• 化学式: C₆H₁₈B₃Br₂N₃
• 分子量: 324.47
• InChiKey: APEOOBPEYHZRDV-UHFFFAOYSA-N

物化性质

• 沸点：
  254.9±23.0 °C(Predicted)
• 密度：
  1.343±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.59
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-dibromo-1,2,3-tris(dimethylamino)triborane(5) 在 cyclohexanethiol 、 NEt₃ 作用下， 以 正己烷 为溶剂， 以69%的产率得到1,3-bis(cyclohexylthio)-1,2,3-tris(dimethylamino)triborane(5)
  参考文献：
  名称：

  Linti, Gerald; Loderer, Dirk; Noeth, Heinrich, Chemische Berichte, 1994, vol. 127, # 10, p. 1909 - 1922

  摘要：

  DOI：
• 作为产物：
  描述：

  二溴甲基-硼烷 、 1,1,3,3-tetrakis(dimethylamino)-2-dimethylamino-triboran(5) 生成 1,3-dibromo-1,2,3-tris(dimethylamino)triborane(5)
  参考文献：
  名称：

  Noeth, Heinrich; Geisberger, Gilbert; Linti, Gerald, Pure and Applied Chemistry, 1991, vol. 63, p. 351 - 356

  摘要：

  DOI：

文献信息

• Two Isomers of a Tris(dimethylamino)bis(trimethylstannyl) Triborane(5) and the Reaction of (Me3Sn)2B2(NMe2)2 with (Ph3P)2Pt(η2-C2H4)
  作者：Tassilo Habereder、Heinrich Nöth、Matthias Wagner

  DOI：10.1002/1099-0682(200107)2001:7<1665::aid-ejic1665>3.0.co;2-9

  日期：2001.7

  Me3SnLi at low temperature the bis(trimethylstannyl)triborane 2a is formed. In contrast, when the dibromide Br(Me2N)B−BNMe2−B(NMe2)Br is allowed to react with Me3SnLi only small amounts of 2a are formed; the main product being the cyclic isomer 2b. Compounds 1a and 2b were characterized by X-ray crystal structure analysis. Compound 2b has quite short B−Sn bonds. Oxidative addition of 1a with ethylenebis(

  LiSnR3 (R = Me, Ph) 与 Cl(Me2N)B-B(NMe2)Cl 的反应生成相应的 1,2-(三有机基锡烷基) 乙硼烷 (4) 1a,b。类似地，当三硼烷 (5) Cl(Me2N)B-BNMe2-B(NMe2)Cl 在低温下与 Me3SnLi 反应时，会形成双（三甲基锡基）三硼烷 2a。相反，当二溴化物 Br(Me2N)B-BNMe2-B(NMe2)Br 与 Me3SnLi 反应时，仅形成少量 2a；主要产物是环状异构体2b。化合物 1a 和 2b 通过 X 射线晶体结构分析表征。化合物 2b 具有非常短的 B-Sn 键。1a 与亚乙基双（三苯基膦）铂（0）的氧化加成产生顺式双（三甲基锡烷基）双（三苯基膦）铂（II）（3），此外还有三甲基锡烷基[三甲基锡烷基双（二甲氨基）二硼烷基（4）]双（三苯基膦）铂 4。
• Contribution to the Chemistry of Boron, 240 . Studies on Benzo‐1,3,2‐diphosphaborolanes, Benzo‐1,4,2,3‐diphosphadiborinanes and Benzo‐1,5,2,3,4‐diphosphatriborepanes
  作者：Bernhard Kaufmann、Ralf Jetzfellner、Heinrich Nöth、Martin Schmidt、Elke Leissring、Kurt Issleib

  DOI：10.1002/cber.19971301120

  日期：1997.11

  AbstractA series of benzo‐ 1,3,3‐diphosphaborolanes C6H4(PR)2BR' (R = H, iPr, SiMe3; R' = R2N, R) has been prepared by several routes and characterized by spectroscopic and – in part – by X‐ray diffraction methods. They feature pyramidal P atoms with the substituents in antiperiplanar positions. The P atoms act as coordination sites for the (CO)5Cr fragment. In contrast to the R2N‐bearing benzo‐1,3,2‐diphosphaborolanes, the derivative C6H4(PH)2BCMe3 (4f) dimerizes by additional B–P bond formation to produce a pentacyclic system (4f)2. – The reaction of C6H4(PHNa)2 with B2(NMe2)2Cl2 in THF/hexane yields the acyclic phosphanylborane Me2NB(PH–C6H4PH2)2 (15). However, if C6H4[P(iPr)Li]2 is allowed to react with B2(NMe2)2Cl2, the benzo‐1,4,2,3‐diphosphadiborinane 13 is obtained, together with its rearrangement product 2‐bis(dimethylamino)borylbenzo‐1,3,2‐diphosphaborolane 14 which dimerizes to (14)2. — In contrast, the almost planar ring of the 2,3‐dimesitylbenzo‐1,4,2,3‐diphosphadiborinane (16) possesses P and B atoms with a planar geometry. Short B–B and B–P bonds suggest that this new heterocycle can be regarded as a 6π electron system. Moreover, the benzo‐1,5,2,3,4‐diphosphatriborepane 18 forms readily forms readily from C6H4(PHNa)2 and Br(Me2N)B–B(N‐Me2)–B(NMe2) Br to give a tub‐shaped seven‐membered C2B3P2 ring system with the P atoms in a pyramidal and the B atoms in a planar environment.
• Noeth, Heinrich; Wagner, Matthias, Chemische Berichte, 1991, vol. 124, # 9, p. 1963 - 1972
  作者：Noeth, Heinrich、Wagner, Matthias

  DOI：——

  日期：——