Dimethylamin-SO2-Komplex | 21326-49-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Dimethylamin-SO2-Komplex
• 英文别名: complex of sulfur dioxide with dimethylamine；N-methylmethanamine;sulfur dioxide
• CAS: 21326-49-8
• 化学式: C₂H₇N*O₂S
• 分子量: 109.149
• InChiKey: RBKBRXKALPDYES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.83
• 重原子数：
  6
• 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：
  47.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Dimethylamin-SO2-Komplex 、 甲基丙烯腈 反应 5.0h， 以80%的产率得到3-dimethylaminoisobutyronitrile-sulfur dioxide adduct
  参考文献：
  名称：

  Bodrikov, I. V.; Krasnov, V. L.; Samodurov, I. N., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 5, p. 923 - 928

  摘要：

  DOI：
• 作为产物：
  描述：

  二甲胺 在 二氧化硫 作用下， 生成 Dimethylamin-SO2-Komplex
  参考文献：
  名称：

  Bodrikov, I. V.; Krasnov, V. L.; Samodurov, I. N., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 5, p. 923 - 928

  摘要：

  DOI：

文献信息

• Reactions of Ammonia and Aliphatic Amines with Sulphur Dioxide
  作者：TETSUO HATA、SUSUMU KINUMAKI

  DOI：10.1038/2031378b0

  日期：1964.9

  ALTHOUGH much work has been carried out on the reactions of ammonia with sulphur dioxide1,2, little attention has been directed to spectrochemical measurements of the reactions. Tertiary amines (such as trimethylamine and triethylamine) and aniline derivatives give well-known molecular complexes by addition of sulphur dioxide; and ultra-violet absorption spectra3,4 for the former and infra-red absorption

  尽管已经对氨与二氧化硫 1,2 的反应进行了大量工作，但很少关注反应的光谱化学测量。叔胺（如三甲胺和三乙胺）和苯胺衍生物通过加入二氧化硫产生众所周知的分子络合物；前者的紫外吸收光谱 3,4 和后者的红外吸收光谱 5 已经过研究。
• Matschiner, Hermann; Maschmeier, Claus-Peter; Maier, Nadja, Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 84, # 1-4, p. 223 - 230
  作者：Matschiner, Hermann、Maschmeier, Claus-Peter、Maier, Nadja、Hansen, Jens

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: S: SVol.3, 2.1.8.11, page 219 - 221
  作者：

  DOI：——

  日期：——
• Structure of the dimethylamine-sulfur dioxide complex
  作者：Jung Jin Oh、Kurt W. Hillig、Robert L. Kuczkowski

  DOI：10.1021/j100172a022

  日期：1991.9

  The microwave spectrum of the charge-transfer complex between dimethylamine and sulfur dioxide was studied with a pulsed molecular beam Fourier transform microwave spectrometer. The rotational constants (in MHz) of (CH3)2NH.SO2 are A = 4445.495 (3), B = 2063.031 (1), and C = 1752.470 (1). In addition to the normal isotopic form, the rotational spectra of the (CH3)2NH.34SO2, (CH3)2(15)NH.SO2, (CH3)2ND.SO2, and two (CH3)2NH.SO18O isotopic species were assigned. Stark effect measurements gave electric dipole components of mu-a = 4.025 (1), mu-c = 1.747 (2), and mu-total = 4.388 (1) D. The structure of this complex lacks any symmetry plane. The nitrogen lone pair points toward the S atom, nearly perpendicular to the plane of the sulfur dioxide, and one methyl group staggers the oxygen atoms. The nitrogen-to-sulfur distance of 2.34 (3) angstrom is about 0.08 angstrom longer than in the trimethylamine-SO2 complex which correlates with the relative strength of the complexes. From the dipole moment and the nitrogen nuclear quadrupole coupling constants, an upper limit is estimated for electron transfer from the nitrogen to the sulfur atom of 0.25 electron. Ab initio calculations also conclude that a methyl group staggers the two oxygens of SO2.
• Krasnov, V. L.; Vasyanina, G. I.; Bodrikov, I. V., Journal of Organic Chemistry USSR (English Translation), 1987, vol. 23, # 2, p. 396 - 397
  作者：Krasnov, V. L.、Vasyanina, G. I.、Bodrikov, I. V.

  DOI：——

  日期：——