1,3-dimethoxy-2,4,5,6-tetrabromobenzene | 24339-57-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,3-dimethoxy-2,4,5,6-tetrabromobenzene
• 英文别名: Tetrabrom-1,3-dimethoxy-benzol；1,2,3,5-tetrabromo-4,6-dimethoxybenzene
• CAS: 24339-57-9
• 化学式: C₈H₆Br₄O₂
• 分子量: 453.75
• InChiKey: VKZYYEZAXMNTLX-UHFFFAOYSA-N

物化性质

• 熔点：
  117-118 °C
• 沸点：
  375.4±37.0 °C(Predicted)
• 密度：
  2.244±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.75
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  1,2,3,4,5-pentabromo-6-methoxybenzene 、 sodium methylate 生成 1,3-dimethoxy-2,4,5,6-tetrabromobenzene
  参考文献：
  名称：

  Shishkin, V. N.; Tachaseichuk, B. S.; Balashov, A. V., Journal of Organic Chemistry USSR (English Translation), 1983, vol. 19, p. 1302 - 1308

  摘要：

  DOI：

文献信息

• Regioselectivity of methoxydebromination of substituted pentabromobenzenes C6Br5X in pyridine
  作者：V. N. Shishkin、K. K. Lapin、S. A. Shabarina、K. P. Butin

  DOI：10.1007/bf01151297

  日期：1995.9

  The kinetics and regioselectivity of methoxydebromination of some substituted pentabromobenzenes C(6)Br(5)X (X = NO2, CN, NH2, MeNH, and MeO) were studied in pyridine at 115 degrees C. The partial rate factors (k(f)) were calculated for different positions of the polybrominated ring in these compounds. The effect of substituents X on methoxydebromination at the meta- and para-positions is satisfactorily described only by the Hammett substituent constants (rho = 2.22, r = 0.96). This allows one to conclude that direct polar conjugation of the substituents contributes only slightly to the transition state of the reaction. The ortho-bromine atoms have a significant steric effect.
• SHISHKIN, V. N.;TANASEJCHUK, B. C70, BALASHOV, A. V.;BUTIN, K. P., ZH. ORGAN. XIMII, 1983, 19, NO 7, 1449-1456
  作者：SHISHKIN, V. N.、TANASEJCHUK, B. C70, BALASHOV, A. V.、BUTIN, K. P.

  DOI：——

  日期：——