methyl 2,6-dimethoxy-4-(α,α-diethoxymethyl)benzoate | 55687-80-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 2,6-dimethoxy-4-(α,α-diethoxymethyl)benzoate
• 英文别名: 2,6-dimethoxy-4-(diethoxy-methyl)-benzoic acid methyl ester；Methyl 4-(diethoxymethyl)-2,6-dimethoxybenzoate
• CAS: 55687-80-4
• 化学式: C₁₅H₂₂O₆
• 分子量: 298.336
• InChiKey: LSCCVEJPUYKBFZ-UHFFFAOYSA-N

物化性质

• 沸点：
  388.3±42.0 °C(Predicted)
• 密度：
  1.100±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 2,6-dimethoxy-4-(α,α-diethoxymethyl)benzoate 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 5.0h， 生成 methyl 2,6-dimethoxy-4-formylbenzoate
  参考文献：
  名称：

  Regioselective reductive electrophilic substitution of derivatives of 3,4,5-trimethoxybenzaldehyde

  摘要：

  The behavior of several protected derivatives of 3,4,5-trimethoxybenzaldehyde has been investigated under conditions of electron transfer from alkali metals in aprotic solvents. The 4-methoxy group can be regioselectively removed in good to high yield under such conditions, and an appropriate choice of the protecting group, metal, and solvent allows its substitution with a variety of electrophiles. 3,4,5-Trimethoxybenzaldehyde dimethyl acetal, 1, is the starting material of choice for a new general synthetic approach to several polysubstituted resorcinol dimethyl ethers. Investigation of the mechanism of demethoxylation, with the aid of labeling experiments, showed that reductive demethoxylation is strongly influenced by the nature of the aldehyde protective group employed.

  DOI：

  10.1021/jo00037a029
• 作为产物：
  描述：

  2,6-二甲氧基对苯二酸二甲酯 在 吗啉 、 盐酸 、 红铝 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 6.0h， 生成 methyl 2,6-dimethoxy-4-(α,α-diethoxymethyl)benzoate
  参考文献：
  名称：

  Kompis; Then; Boehni, European Journal of Medicinal Chemistry, 1980, vol. 15, # 1, p. 17 - 22

  摘要：

  DOI：

文献信息

• 2,4-Diamino-5-benzylpyrimidines
  申请人：Hoffmann-La Roche Inc.

  公开号：US03931181A1

  公开（公告）日：1976-01-06

  2,4-Diamino-5-benzylpyrimidines characterized by the formula ##SPC1## Wherein R.sup.1, R.sup.2, A.sup.1, Z and n are as hereinafter set forth, are described. The 2,4-diamino-5-benzylpyrimidines of the invention have useful antibacterial activity. More particularly, they block bacterial dihydrofolate reductase and potentiate the antibacterial activity of sulfonamides.

  2,4-二氨基-5-苄基嘧啶的化学式为##SPC1##，其中R.sup.1、R.sup.2、A.sup.1、Z和n如下所述。本发明的2,4-二氨基-5-苄基嘧啶具有有用的抗菌活性。更具体地说，它们可以阻断细菌的二氢叶酸还原酶，并增强磺胺类药物的抗菌活性。
• KOMPIS I.; THEN R.; BOEHNI E.; REY-BELLET G.; ZANETTI G.; MONTAVON M., EUR. J. MED. CHEM.-CHIM. THER., 1980, 15, NO 1, 17-22
  作者：KOMPIS I.、 THEN R.、 BOEHNI E.、 REY-BELLET G.、 ZANETTI G.、 MONTAVON M.

  DOI：——

  日期：——
• US3931181A
  申请人：——

  公开号：US3931181A

  公开（公告）日：1976-01-06
• Regioselective reductive electrophilic substitution of derivatives of 3,4,5-trimethoxybenzaldehyde
  作者：Ugo Azzena、Giovanni Melloni、Anna Maria Piroddi、Emanuela Azara、Stefania Contini、Emma Fenude

  DOI：10.1021/jo00037a029

  日期：1992.5

  The behavior of several protected derivatives of 3,4,5-trimethoxybenzaldehyde has been investigated under conditions of electron transfer from alkali metals in aprotic solvents. The 4-methoxy group can be regioselectively removed in good to high yield under such conditions, and an appropriate choice of the protecting group, metal, and solvent allows its substitution with a variety of electrophiles. 3,4,5-Trimethoxybenzaldehyde dimethyl acetal, 1, is the starting material of choice for a new general synthetic approach to several polysubstituted resorcinol dimethyl ethers. Investigation of the mechanism of demethoxylation, with the aid of labeling experiments, showed that reductive demethoxylation is strongly influenced by the nature of the aldehyde protective group employed.
• Kompis; Then; Boehni, European Journal of Medicinal Chemistry, 1980, vol. 15, # 1, p. 17 - 22
  作者：Kompis、Then、Boehni、et al.

  DOI：——

  日期：——