5-Ethoxy-2,3-diphenyl-pyrazine | 104369-45-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-Ethoxy-2,3-diphenyl-pyrazine
• 英文别名: 2,3-Diphenyl-5-ethoxypyrazine；5-ethoxy-2,3-diphenylpyrazine
• CAS: 104369-45-1
• 化学式: C₁₈H₁₆N₂O
• 分子量: 276.338
• InChiKey: SCRXVQXKFMGDOH-UHFFFAOYSA-N

物化性质

• 熔点：
  90-92 °C
• 沸点：
  368.2±42.0 °C(Predicted)
• 密度：
  1.118±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-Ethoxy-2,3-diphenyl-pyrazine 在 氧气 、 亚甲兰 作用下， 以 二氯甲烷 为溶剂， 生成 8-Ethoxy-1,6-diphenyl-2,3-dioxa-5,7-diaza-bicyclo[2.2.2]octa-5,7-diene
  参考文献：
  名称：

  Nishio, Takehiko; Kondo, Masaji; Omote, Yoshimori, Journal of the Chemical Society. Perkin transactions I, 1985, p. 2497 - 2500

  摘要：

  DOI：
• 作为产物：
  描述：

  5-氯-2,3-二苯基吡嗪 、 alkaline earth salt of/the/ methylsulfuric acid 生成 5-Ethoxy-2,3-diphenyl-pyrazine
  参考文献：
  名称：

  Measurement and prediction of hydrophobicity parameters for highly lipophilic compounds: Application of the HPLC column-switching technique to measurement of log P of diarylpyrazines

  摘要：

  In the preparatory stage of structure-activity relationship (QSAR) studies of anti-platelet aggregant pyrazine derivatives, log P values (P: 1-octanol/water partition coefficient) of diarylpyrazines were measured by a newly developed HPLC column-switching technique. The system consists of two processes: (1) adsorption of the sample at the top end of a short precolumn, and then (2) quantifying the enriched analyte by a conventional analytical column. By using the log P values thus obtained, the correction factor for the steric hindrance caused by the vicinal diphenyl groups was estimated. The log k values (k; retention factor) were also measured with methanol-buffer (pH 7.4) eluents and related to log P. The eluent of 50% methanol content (M50) gave a good linear relationship over a wide range of log P (-0.3< log P < 5.2), indicating that log k(M50) parameter is useful for predicting the log P value.

  DOI：

  10.1021/js990112s

文献信息

• 10.1002/ejoc.202400386
  作者：Zhang, Guofu、Luo, Zijin、Mei, Guangyao、Wang, Haibo、Ding, Chengrong

  DOI：10.1002/ejoc.202400386

  日期：——

  salts to construct an EDA complex, providing a catalyst-free and mild protocol to obtain 1-trifluoromethyl-3-quinoxaline derivatives bicyclo[1.1.1]pentanes in high yields under photo-induced condition (36 examples), with structural modifications to the bioactive molecule derivatives also successfully implemented.

  第一个例子使用BCP铊盐构建EDA络合物，提供了一种无催化剂且温和的方案，在光诱导条件下高产率获得1-三氟甲基-3-喹喔啉衍生物双环[1.1.1]戊烷（36个例子） ，对生物活性分子衍生物的结构修饰也成功实现。
• Nishio, Takehiko; Nakajima, Naoko; Kondo, Masaji, Journal of the Chemical Society. Perkin transactions I, 1984, # 3, p. 391 - 396
  作者：Nishio, Takehiko、Nakajima, Naoko、Kondo, Masaji、Omote, Yoshimori、Kaftory, Menahem

  DOI：——

  日期：——
• NISHIO, TAKEHIKO;KONDO, MASAJI;OMOTE, YOSHIMORI, J. CHEM. SOC. PERKIN TRANS., 1985, N 11, 2497-2499
  作者：NISHIO, TAKEHIKO、KONDO, MASAJI、OMOTE, YOSHIMORI

  DOI：——

  日期：——
• Measurement and prediction of hydrophobicity parameters for highly lipophilic compounds: Application of the HPLC column-switching technique to measurement of log P of diarylpyrazines
  作者：Chisako Yamagami、Kozue Araki、Kyoko Ohnishi、Kaoru Hanasato、Haruko Inaba、Masahiro Aono、Akihiro Ohta

  DOI：10.1021/js990112s

  日期：1999.12

  In the preparatory stage of structure-activity relationship (QSAR) studies of anti-platelet aggregant pyrazine derivatives, log P values (P: 1-octanol/water partition coefficient) of diarylpyrazines were measured by a newly developed HPLC column-switching technique. The system consists of two processes: (1) adsorption of the sample at the top end of a short precolumn, and then (2) quantifying the enriched analyte by a conventional analytical column. By using the log P values thus obtained, the correction factor for the steric hindrance caused by the vicinal diphenyl groups was estimated. The log k values (k; retention factor) were also measured with methanol-buffer (pH 7.4) eluents and related to log P. The eluent of 50% methanol content (M50) gave a good linear relationship over a wide range of log P (-0.3< log P < 5.2), indicating that log k(M50) parameter is useful for predicting the log P value.
• Nishio, Takehiko; Kondo, Masaji; Omote, Yoshimori, Journal of the Chemical Society. Perkin transactions I, 1985, p. 2497 - 2500
  作者：Nishio, Takehiko、Kondo, Masaji、Omote, Yoshimori

  DOI：——

  日期：——