4-Acetoxy-3-ethyl-1-methoxy-naphthalene-2-carboxylic acid ethyl ester | 107536-21-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-Acetoxy-3-ethyl-1-methoxy-naphthalene-2-carboxylic acid ethyl ester
• 英文别名: Ethyl 4-acetyloxy-3-ethyl-1-methoxynaphthalene-2-carboxylate
• CAS: 107536-21-0
• 化学式: C₁₈H₂₀O₅
• 分子量: 316.354
• InChiKey: DDUVLYIBWVRMHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-戊炔酸乙酯 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙酸酐 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 1-Acetoxy-3-ethyl-4-methoxy-naphthalene-2-carboxylic acid ethyl ester 、 4-Acetoxy-3-ethyl-1-methoxy-naphthalene-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  铬-卡宾配合物与炔烃反应的区域选择性：空间和电子因素的检验

  摘要：

  描述了在苯基铬卡宾配合物与不对称炔烃的反应中炔烃的空间和电子因子的区域选择性的检查。

  DOI：

  10.1016/s0040-4039(00)84825-x

文献信息

• 1,4-Dihydronaphthoquinones, hydroindoloquinones, benzofurans, and benzothiophenes as inhibitors of 5-lipoxygenase. Synthesis and structure-activity studies
  作者：Ayako Yamashita、Robert G. Schaub、Michael K. Bach、Gordon J. White、Arthur Toy、Nabil B. Ghazal、Michael D. Burdick、John R. Brashler、Marilyn S. Holm

  DOI：10.1021/jm00164a050

  日期：1990.2

  A series of substituted 1,4-dihydronaphthoquinones, hydroindoloquinones, benzofuran-4,7-dihydroquinones, and benzothiophene-4,7-dihydroquinones were synthesized and evaluated for inhibitory activity against 5-lipoxygenase. These compounds were found to be active in vitro for LTC4/D4 inhibition with the potencies (IC50's) ranging from 0.2 to 85 microM. Active 1,4-dihydronaphthoquinone acetates (IC50 less than 20 microM) were evaluated in an ex vivo LTB4 inhibition assay. The acetates of 1,4-dihydronaphthoquinones containing the alkyl substituent(s) (2-n-butyl, 11, and 2,3-diethyl, 15) exhibited the best activity in LTC4/D4 inhibition (IC50 = 0.2-0.4 microM, in vitro) as well as in LTB4 inhibition (60-75% inhibition).
• YAMASHITA A.; TOY A., TETRAHEDRON LETT., 27,(1986) N 30, 3471-3474
  作者：YAMASHITA A.、 TOY A.

  DOI：——

  日期：——
• Regioselectivity of the reaction of a chromium-carbene complex with alkynes: Examination of steric and electronic factors
  作者：A. Yamashita、A. Toy

  DOI：10.1016/s0040-4039(00)84825-x

  日期：1986.1

  Examination of a steric and electronic factor of alkyne in regioselectivity in the reaction of a phenyl chromium carbene complex with unsymmetrical alkynes is described.

  描述了在苯基铬卡宾配合物与不对称炔烃的反应中炔烃的空间和电子因子的区域选择性的检查。