1,2-二溴-1-氘代乙烷 | 206127-58-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 中文名称: 1,2-二溴-1-氘代乙烷
• 英文名称: 1,2-dibromo-1-deuterio-ethane
• 英文别名: 1,2-Dibrom-1-deuterio-aethan；1.2-Dibrom-1-deutero-aethan；1.2-Dibrom-aethan-1-d；1,2-Dibromo-1-deuterioethane
• CAS: 206127-58-4
• 化学式: C₂H₄Br₂
• 分子量: 188.854
• InChiKey: PAAZPARNPHGIKF-MICDWDOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  4
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,2-二溴-1-氘代乙烷 在 silver fluoride 作用下， 生成 C₂H₃⁽²⁾HF₂
  参考文献：
  名称：

  Microwave spectrum and molecular structure ofgauche‐1,2‐difluoroethane

  摘要：

  The microwave spectra of four isotopic species of gauche-1,2-difluoroethane have been observed. Having combined the rotational constants obtained with those of the normal species, all the structural parameters have been determined as follows; r(C–C)=1.493(8) Å, r(C–F) =1.390(3) Å, r(C–Hg)=1.099(2) Å, r(C–Ht)=1.093(5) Å, ∠CCF=110.6(5)°, ∠CCHg=108.4(6)°, ∠CCHt=111.3(6)°, ∠HCH=109.1(5)°, ∠FCHg=109.6(3)°, ∠FCHt=107.8(6)°, and FCCF (dihedral angle)=71.0(3)°. The spectra of normal species in the excited torsional states have also been observed up to vt=4, and the results of the analysis indicate that the gauche-gauche barrier should be higher than the value, 468.6 cm−1, reported by the analysis of vibrational spectra.

  DOI：

  10.1063/1.450042
• 作为产物：
  描述：

  溴乙烯 在 溴化氘 作用下， 生成 1,2-二溴-1-氘代乙烷
  参考文献：
  名称：

  Verhulst; Jungers; de Hemptinne, 1940, vol. 22, p. 56

  摘要：

  DOI：

文献信息

• Raman Spectrum of Monodeuteroethylene
  作者：J. M. DELFOSSE、J. C. JUNGERS、G. LEMAITRE、Y. L. TCHANG、C. MANNEBACK

  DOI：10.1038/1391111a0

  日期：1937.6

  MONODEUTEROETHYLENE has been prepared (J.C.J.) in two different ways. Starting from vinylbromide and deuterium bromide, obtained by the action of deuterium oxide on redistilled phosphorus penta-bromide, the monodeuteroethylenebromide was prepared. This compound was submitted to the action of zinc and yielded monodeuteroethylene. Several spectra of the liquid compound were taken at a temperature of 140° C.; the lines are listed in the accompanying table. The strongest lines of ethylene also appeared.

  单过氧化乙烯有两种不同的制备方法（J.C.J.）。通过氧化氘对再蒸馏五溴化磷的作用，从溴化乙烯基和溴化氘开始，制备出了单 丁烯溴。这种化合物在锌的作用下生成了单脱氧乙烯。在 140 摄氏度的温度下，对这种液态化合物进行了多次光谱分析。乙烯的最强谱线也出现了。
• The Synthesis of [2-2H1]Thiirane-1-oxide and [2,2-2H2]Thiirane-1-oxide and the Diastereoselective Infrared Laser Chemistry of [2-2H1]Thiirane-1-oxide
  作者：Heike Gross、Guido Grassi、Martin Quack

  DOI：10.1002/(sici)1521-3765(19980310)4:3<441::aid-chem441>3.0.co;2-3

  日期：1998.3.10

  We report the synthesis of the title compounds CH2CHDSO and CH2CD2SO and their characterization by infrared spectroscopy. The monodeuterated species occurs in two isotopically diastereomeric forms with the D atom either cis or trans oriented to the O atom, The SO infrared chromophore in these diastereomers has a strong absorption centered near 1114 and 1116 cm(-1), respectively, with an integrated band strength G = 2.8 pm(2), which renders it very suitable for infrared multiphoton excitation with a CO2 laser, leading to the laser chemical dissociation of the reactants into deuterated ethylene and SO((3) Sigma(-)). We have established the first successful laser chemical separation of such a diastereomer pair, with a small but significant separation factor based on the small frequency difference of the v(4) (SO stretching) fundamental mentioned above; the analysis used high-resolution FTIR spectroscopy in the region of the Q branches of v(4). Our results are discussed in relation to various aspects of stereochemical reaction dynamics in chiral and achiral sulfoxides.
• Complete microwave structure and electron distribution for spiro[2.4]hepta-4,6-diene
  作者：Marlin D. Harmony、S. N. Mathur、Jong-In Choe、Mano Kattija-Ari、Allison E. Howard、Stuart W. Staley

  DOI：10.1021/ja00401a009

  日期：1981.6
• de Hemptinne; Jungers; Delfosse, Journal of Chemical Physics, 1938, vol. 6, p. 320
  作者：de Hemptinne、Jungers、Delfosse

  DOI：——

  日期：——