benzimidic acid-((2RS,3SR)-2,3-dibromo-3-phenyl-propyl ester) | 109602-89-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: benzimidic acid-((2RS,3SR)-2,3-dibromo-3-phenyl-propyl ester)
• 英文别名: benzimidic acid-((2RS,3SR)-2,3-dibromo-3-phenyl-propyl ester)；Benzimidsaeure-((2RS,3SR)-2,3-dibrom-3-phenyl-propylester)
• CAS: 109602-89-3
• 化学式: C₁₆H₁₅Br₂NO
• 分子量: 397.109
• InChiKey: QFJXUNGYYACYAZ-CABCVRRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.93
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  33.08
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  benzimidic acid-((2RS,3SR)-2,3-dibromo-3-phenyl-propyl ester) 在 氢溴酸 、 sodium carbonate 、 甲苯 作用下， 生成 benzoic acid-((2RS,3RS)-2-amino-3-bromo-3-phenyl-propyl ester)
  参考文献：
  名称：

  dl-Phenylserinols: A New Synthesis and its Stereochemical Findings. I¹

  摘要：

  DOI：

  10.1021/ja01588a052
• 作为产物：
  描述：

  2,3-dibromo-3-phenylpropan-1-ol 、 苯甲腈 在 盐酸 、 乙醚 作用下， 生成 benzimidic acid-((2RS,3SR)-2,3-dibromo-3-phenyl-propyl ester)
  参考文献：
  名称：

  dl-Phenylserinols: A New Synthesis and its Stereochemical Findings. I¹

  摘要：

  DOI：

  10.1021/ja01588a052

文献信息

• Urinary excretion pattern of catecholestrogens in preovulatory LH surge during the 4-day estrous cycle of rats
  作者：Shyamal K. Panda、S. C. Chattoraj

  DOI：10.1007/bf03343870

  日期：2001.5

  The formation of catecholestrogens represents a major pathway of estrogen metabolism and catecholestrogens are regarded as the main estrogen metabolite in non-pregnant state of various mammalian systems. In the present investigation, level of 2-hydroxyestrone, the major catecholestrogen excreted in rat urine, was measured by radioimmunoassay following acid hydrolysis and column chromatography of the 24-h urine samples of female Sprague Dawley non-pregnant rats during their 4-day estrous cycle. Urinary levels of estrone, estradiol and estriol were measured. Unlike the plasma level, urinary 2-hydroxyestrone showed a marked increase during the pre-ovulatory LH surge suggesting a plausible role of catecholestrogen in the mid-cycle elevation of the gonadotropin level in normal cycling rats.