3-(benzyloxy)-4-methoxybenzaldehyde dimethyl acetal | 76799-17-2

• 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: 3-(benzyloxy)-4-methoxybenzaldehyde dimethyl acetal
• 英文别名: 4-(Dimethoxymethyl)-1-methoxy-2-phenylmethoxybenzene
• CAS: 76799-17-2
• 化学式: C₁₇H₂₀O₄
• 分子量: 288.343
• InChiKey: VDRMPGHNCJGARX-UHFFFAOYSA-N

物化性质

• 沸点：
  374.6±42.0 °C(Predicted)
• 密度：
  1.105±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(benzyloxy)-4-methoxybenzaldehyde dimethyl acetal 在 palladium on activated charcoal 氢气 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 、 苯 为溶剂， 25.0 ℃ 、303.98 kPa 条件下， 反应 24.0h， 生成 2-(3-hydroxy-4-methoxyphenyl)-6,7α,8β-trihydroxy-1,3,5-trioxatetrahydronaphthalene
  参考文献：
  名称：

  Dihydrochalcone sweeteners. A study of the atypical temporal phenomena

  摘要：

  Neohesperidin dihydrochalcone (NHDHC), known since 1963 as an intensely sweet compound, is determined to be 340 +/- 60 (p less than 0.05) times more potent than sucrose. The unusual temporal properties of this material are hypothesized as being due to the effects of metabolism, conformation, chelation, or hydrophobicity. Forty-four analogues are synthesized to test the four hypotheses, none of which are strongly supported. A method of quantitation of temporal characteristics of tastant molecules is developed so as to allow comparison of taste appearance time (AT) and extinction time (ET) of experimental compounds. Four of the new compounds, 40 and 43-45, exhibit high sweetness potencies, ranging from 280 and 440 times sucrose, and may be useful in selected food systems. The temporal taste characteristics remain unimproved over NHDHC, however.

  DOI：

  10.1021/jm00136a011

文献信息

• Synthesis and evaluation of ether and halogenated derivatives of mannopeptimycin glycopeptide antibiotics
  作者：Phaik-Eng Sum、David How、Nancy Torres、Peter J. Petersen、Joseph Ashcroft、Edmund I. Graziani、Frank E. Koehn、Tarek S. Mansour

  DOI：10.1016/s0960-894x(03)00542-0

  日期：2003.8

  A number of 6-O-ether and 4-O-ether derivatives of mannopeptimycin-alpha with different steric bulk and lipophilicity were synthesized for structure-activity relationship study. Novel iodo and bromo mannopeptimycin-alpha were also prepared. These compounds were synthesized via electrophilic aromatic substitution. Many of the new ether derivatives exhibited potent antibacterial activity against Gram-positive

  合成了许多具有不同空间体积和亲脂性的甘露肽霉素-α的6-O-醚和4-O-醚衍生物用于结构-活性关系研究。还制备了新的碘和溴甘露肽霉素-α。这些化合物是通过亲电芳族取代合成的。许多新的醚衍生物对革兰氏阳性耐药菌株（包括VRE，MRSA和PRSP）表现出有效的抗菌活性。