| 67183-20-4

• CAS: 67183-20-4
• 化学式: C₄H₁₄B₂Cl₄N₂
• 分子量: 253.603
• InChiKey: XCLQVYQYPWYEOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 三溴化硼 以 四氢呋喃 、 正庚烷 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  The solid-state structure of diboronic acid, B2(OH)4

  摘要：

  二硼酸的晶体结构中含有 B2(OH)4 氢键分子，它们通过 B⋯O 相互作用连接成二维薄片。

  DOI：

  10.1039/b302496m
• 作为产物：
  描述：

  盐酸 、 四次甲氨基乙硼烷 在 pinacol or neopentyl glycol 作用下， 以 乙醚 为溶剂， 生成
  参考文献：
  名称：

  Bis-Catecholate, Bis-Dithiocatecholate, and Tetraalkoxy Diborane(4) Compounds:  Aspects of Synthesis and Electronic Structure

  摘要：

  The synthesis and characterization of a series of bis-catecholate diborane(4) compounds, B-2(1,2-O2C6H4)(2) (3), B-2(1,2-O-2-3-MeC6H3)(2) (6), B-2(1,2-O-2-4-MeC6H3)(2) (7), B-2(1,2-O-2-4-(BuC6H3)-C-t)(2) (8), B-2(1,2-O-2-3,5-(Bu2C6H2)-C-t)(2) (9), B-2(1,2-O-2-3-MeOC6H3)(2) (10), bis-ditkiocatecholate diborane(3) compounds, B-2(1,2-S2C6H4)(2) (13), B-2(1,2-S-2-4-MeC6H3)(2) (14), and tetraalkoxy diborane(4) compounds, B-2(OCH2CMe2CH2O)(2) (11) and B-2(OCMe2CMe2O)(2) (12) from B-2(NMe2)(4) (1) is described, as are the bis(NHMe2) adducts or 3 and 9, namely [B-2(1,1-O2C6H4)(2)-(NHMe2)(2)] (1) and [B-2(1,2-O-2-3,5-(Bu2C6H2)-C-t)(2)(NHMe2)(2)] (5). The latter two compounds are intermediates in thr formation of 3 and 9 from 1. Compound 1 is synthesized by reductive coupling of BCl(NMe2)(2), which in turn is prepared from reaction of BCl3 with B(NMe2)(3) in a 1:2 stoichiometry. We have also tharacterized [B2Cl4- (NHMe2)(2)] (15) formed from addition of HCl to 1 prior to complete reaction with diols, and the salt, [NH2Me2][B(1,2-O2C6H3)(2)] (16) which arises from addition of catechol to B(NMe2)(3). Thus, any B(NMe2)(3) impurity present after the preparation of 1 needs to be removed by distillation prior to reaction with alcohols. The dimer, [BCl2-(mu-NMe2)](2) (17) has also been characterized. This is formed from reaction of BCl3 with B(NMe2)(3) if a 2:1 rather than 1:2 stoichiometry is used. Photoelectron spectra of 1, 3, 8, 11, and 12 are reported along with those of the corresponding diols, catechol, 4-Bu-t-catechol, 2,2-dimethyl-1,3-propanediol. and pinacol. The ionization energies of the B-2(OR)(4) compounds follow the series 8 < 3 < 12 < 11. Replacement of O for N in the B2N4 framework increases the IE by ca. 1.65 eV, whereas the presence of an aromatic ring rather than an aliphatic chain decreases the IE by ca. 1.50 eV. The presence of electron donating Bu-t-gr oups also decreases the IE.

  DOI：

  10.1021/ic980425a

文献信息

• Three sulfur-containing diborane(4) compounds
  作者：Nicholas C. Norman、A. Guy Orpen、Michael J. Quayle、Craig R. Rice

  DOI：10.1107/s0108270199014778

  日期：2000.4.15

  The preparation and structures of three diborane(4) compounds ape described. The compound B-2(3,4-S2C4H2-1-S)(2)[2,2'-bi(1,3,5,2-trithiaborapentalene), C8H4B2S6] is planar and lies at a crystallographic inversion centre. The amine adducts [B-2(C3S5)(2)(NHMe2)(2)] [2,2'-bis(dimethylamino)-2,2'-bi(1,3,4,6,2-tetrathiaborapentalene-5-thione), C10H14B2N2S10] and [B-2(1,2-S2C2H4)(2)(NHMe2)(2)]. 0.33CH(2)Cl(2) [1,2-bis(dimethylamino)-1,1:2,2-bis(dimethylenedithioxy)diborane(4) dichloromethane solvate, C8H22B2N2S4. 0.33CH(2)Cl(2)] contain dimethylamine ligands bound to each boron in an anti conformation about the B-B bond, with tetrahedral geometry at the B atoms. The crystal structures display a number of S ... S interactions, which appear to dictate the packing arrangements.