2-amino-4-methylpyridine*cyanoborane | 129916-21-8

• 英文名称: 2-amino-4-methylpyridine*cyanoborane
• CAS: 129916-21-8
• 化学式: C₇H₁₀BN₃
• 分子量: 146.988
• InChiKey: NJBOHHHDHFCEQP-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

• 作为产物：
  描述：

  4-甲基吡啶-2-胺盐酸盐 、 sodium cyanoborohydride 以 四氢呋喃 为溶剂， 以81%的产率得到2-amino-4-methylpyridine*cyanoborane
  参考文献：
  名称：

  Synthesis and characterization of pseudohaloborane adducts of some heteroaromatic N-bases

  摘要：

  DOI：

  10.1016/s0020-1693(00)80446-6

文献信息

• Crystal and molecular structure of (2-amino-4-methyl-1-pyridinio) cyanoborane
  作者：A. Mukhopadhyay、P. K. Maiti、M. K. Das、S. K. Talapatra

  DOI：10.1007/bf01182519

  日期：1993.6

  The crystal structure of the title compound, C7H10N3B, has been determined by X-ray diffraction using CuKalpha radiation. The crystals are monoclinic, P2(1)/c with a = 6.941(2), b = 15.961(3), c = 7.739(2) angstrom, beta = 90.5(2)-degrees and Z = 4. The structure was solved by direct methods, and refined by full matrix least squares to a final R-value of .056 with 833 observed reflections. The molecule is in the elongated form, but is not planar; the torsion angle C(2)-N(1)-B-C(8) is 82.9(4)-degrees. The bond distances N(1)-B = 1.587(5) angstrom; B-C(8) = 1.586(6) angstrom, C(8) = N(3) = 1.134(5) angstrom. The B-C-N moiety is slightly [176.9(4)-degrees] nonlinear. The molecules are linked by weak hydrogen bonds N(2)-H(1N) . . . N(3), N(2)-N(3) = 3.055(5) angstrom and N(2)-H(2N) . . . N(3), N(2)-N(3) = 3.165 angstrom.