1-溴-1,3-丁二炔 | 6088-90-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代乙炔及其衍生物
• 中文名称: 1-溴-1,3-丁二炔
• 英文名称: bromodiacetylene
• 英文别名: bromobutadiyne；1-Brom-buta-1,3-diin；Monobrom-diacetylen；Monobromdiacetylen；Bromdiacetylen；Brombutadiin；1,3-Butadiyne, 1-bromo-；1-bromobuta-1,3-diyne
• CAS: 6088-90-0
• 化学式: C₄HBr
• 分子量: 128.956
• InChiKey: YTIPSWQGFYSLMS-UHFFFAOYSA-N

物化性质

• 沸点：
  108.1±23.0 °C(Predicted)
• 密度：
  1.723±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 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-溴-1,3-丁二炔 、 4-甲氧基氯苄 生成 1-(4-methoxyphenyl)-2,4-pentadiyne
  参考文献：
  名称：

  Schulze,K.; Muehlstaedt,M., Journal fur praktische Chemie (Leipzig 1954), 1966, vol. 33, p. 84 - 95

  摘要：

  DOI：
• 作为产物：
  描述：

  乙炔 在 氢溴酸 作用下， 反应 5.03h， 生成 溴乙烯 、 溴乙炔 、 1-溴-1,3-丁二炔
  参考文献：
  名称：

  固体rypto中的溴化乙炔络合物的光化学

  摘要：

  Hydrogen-bonded complexes between HBr and acetylene in inert gas matrices were subjected to medium-pressure Hg lamp photolysis at 12 K. For HBr-acetylene, the major product was bromoacetylene, while vinyl bromide was present in trace amounts. When HBr-perdeuterioacetylene and DBr-acetylene complexes were photolyzed, bromoacetylene, deuteriobromoacetylene, and the hydrogen exchange product, DBr(HBr)-C2HD, were the primary products. Partially deuterated vinyl bromides were present in trace amounts. In HBr-perdeuterioacetylene, the only isomer observed was cis-CDBr=CHD. Ln DBr-acetylene, both cis- and trans-CHBr=CHD were observed, In neither experiment was the 1,1 addition product formed. The results are interpreted in terms of the supramolecule model of complex photochemistry put forth by Abrash and Pimentel.

  DOI：

  10.1021/j100097a017

文献信息

• Schulze,K.; Muehlstaedt,M., Journal fur praktische Chemie (Leipzig 1954), 1966, vol. 33, p. 84 - 95
  作者：Schulze,K.、Muehlstaedt,M.

  DOI：——

  日期：——
• Photochemistry of Hydrogen Bromide-Acetylene Complexes in Solid Krypton
  作者：Samuel A. Abrash、Celia M. Carr、Michael T. McMahon、Robert W. Zehner

  DOI：10.1021/j100097a017

  日期：1994.11

  Hydrogen-bonded complexes between HBr and acetylene in inert gas matrices were subjected to medium-pressure Hg lamp photolysis at 12 K. For HBr-acetylene, the major product was bromoacetylene, while vinyl bromide was present in trace amounts. When HBr-perdeuterioacetylene and DBr-acetylene complexes were photolyzed, bromoacetylene, deuteriobromoacetylene, and the hydrogen exchange product, DBr(HBr)-C2HD, were the primary products. Partially deuterated vinyl bromides were present in trace amounts. In HBr-perdeuterioacetylene, the only isomer observed was cis-CDBr=CHD. Ln DBr-acetylene, both cis- and trans-CHBr=CHD were observed, In neither experiment was the 1,1 addition product formed. The results are interpreted in terms of the supramolecule model of complex photochemistry put forth by Abrash and Pimentel.