diethylboryl propionate | 57558-79-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: diethylboryl propionate
• 英文别名: Diethylboranyl propanoate
• CAS: 57558-79-9
• 化学式: C₇H₁₅BO₂
• 分子量: 142.006
• InChiKey: NEILQMOIEYQDEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.97
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  三乙基硼 、 丙酸 以 甲苯 为溶剂， 生成 diethylboryl propionate
  参考文献：
  名称：

  Monomeric and dimeric acyloxydialkylboranes

  摘要：

  The carboxylic acids RCO2H [R = But a, Et b, 3,4,5-(MeO)3C6H2 c, 4-MeOC6H4 d, Ph e, 2,4,6-Me3C6H2 f, 2,6-Cl2C6H3 g, or 3,5-(CF3)2C6H3 h] were treated with triethylborane or with bis(9-borabicyclo[3.3.1]nonane) to give the acyloxydiethylboranes 1a-1h and the 9-acyloxy-9-borabicyclo[3.3.1]nonanes) 2a-2h, respectively. Compounds 1a-1h are largely unassociated in nonpolar solvents (B-11 NMR, IR spectroscopy). As pure liquids, or in the solid state, they form equilibrium mixtures of monomeric and associated (dimeric) molecules (IR spectroscopy). Compounds 2a-2f are completely associated as pure liquids and in the solid state, but only weakly associated in non-polar solvents. Based on the crystal structure of dimeric 2e, it is proposed that, when associated, derivatives of both 1 and 2 form cyclic dimers.

  DOI：

  10.1039/dt9930000047

文献信息

• BROWN, H. C.;HEBERT, N. C., J. ORGANOMET. CHEM., 1983, 255, N 2, 135-141
  作者：BROWN, H. C.、HEBERT, N. C.

  DOI：——

  日期：——