3-{N-[2-(chroman-3-yl)ethyl]-N-methylamino}-propionic acid methyl ester | 142032-42-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-{N-[2-(chroman-3-yl)ethyl]-N-methylamino}-propionic acid methyl ester
• 英文别名: methyl 3-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl-methylamino]propanoate
• CAS: 142032-42-6
• 化学式: C₁₆H₂₃NO₃
• 分子量: 277.364
• InChiKey: ZVXPDAZCGJWCLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-{N-[2-(chroman-3-yl)ethyl]amino}propionic acid methyl ester hydrochloride 、 3-{N-[2-(chroman-3-yl)ethyl]-N-methylamino}-propionic acid hydrochloride 在 聚合甲醛 、 碳酸氢钠 、 sodium cyanoborohydride 作用下， 以 乙醚 、 乙醇 、 水 、 溶剂黄146 、 乙腈 为溶剂， 生成 3-{N-[2-(chroman-3-yl)ethyl]-N-methylamino}-propionic acid methyl ester
  参考文献：
  名称：

  US5204334

  摘要：

  公开号：

文献信息

• Benzoheterocyclylalkylaminoalkanediphosphonic acids, compositions
  申请人：Ciba-Geigy Corporation

  公开号：US05204334A1

  公开（公告）日：1993-04-20

  Benzoheterocyclylalkylaminoalkanediphosphonic acids of formula I ##STR1## wherein R.sub.1 and R.sub.2, independently of one another, are hydrogen, lower alkyl, lower alkoxy, halogen or trifluoromethyl, R.sub.3 is hydrogen or lower alkyl, X and Y, independently of one another, are oxy or thio, alk.sub.1 and alk.sub.2 are identical or different lower alkylene radicals, n is 0 or 1 and m and m', independently of one another, are 0, 1 or 2, the sum of n, m and m' being 1, 2 or 3, and their salts exhibit a pronounced regulatory action on the calcium metabolism of warm-blooded animals. They are prepared, for example, as follows: in a compound of the formula ##STR2## wherein R.sub.1, R.sub.2, n, m, m', X, Y, alk.sub.1 and alk.sub.2 are as defined above, R'.sub.3 is one of the groups R.sub.3 mentioned above or is an amino-protecting group R.sub.0, Z.sub.1 is a functionally modified phosphono group, and Z.sub.2 is a free or functionally modified phosphono group, converting functionally modified phosphono Z.sub.1 and, where appropriate, Z.sub.2 into the free phosphono group, and, if desired, converting a resulting compound into a different compound of formula I, separating a mixture of isomers obtainable in accordance with the process into the components and separating the preferred isomer, and/or converting a free compound obtainable in accordance with the process into a salt or converting a salt obtainable in accordance with the process into the corresponding free compound.

  式I的Benzoheterocyclylalkylaminoalkanediphosphonic酸 其中R.sub.1和R.sub.2独立地为氢，较低的烷基，较低的烷氧基，卤素或三氟甲基，R.sub.3为氢或较低的烷基，X和Y独立地为氧或硫，alk.sub.1和alk.sub.2为相同或不同的较低烷基烷基，n为0或1，m和m'独立地为0，1或2，n，m和m'的总和为1，2或3，它们的盐在温血动物的钙代谢中表现出明显的调节作用。例如，它们可以制备如下：在式中的化合物中 其中R.sub.1，R.sub.2，n，m，m'，X，Y，alk.sub.1和alk.sub.2如上所述，R'.sub.3是上述R.sub.3中提到的其中一组或是氨基保护基R.sub.0，Z.sub.1是功能修饰的磷酸酯基，Z.sub.2是自由或功能修饰的磷酸酯基，将功能修饰的磷酸酯Z.sub.1和必要时的Z.sub.2转化为自由磷酸酯基，如果需要，将所得化合物转化为不同的式I化合物，将按照过程获得的异构体混合物分离成组分并分离所需的异构体，和/或将按照过程获得的自由化合物转化为盐或将按照过程获得的盐转化为相应的自由化合物。
• Neue Benzoheterocyclylalkylaminoalkandiphosphonsäuren
  申请人：CIBA-GEIGY AG

  公开号：EP0481920B1

  公开（公告）日：1995-07-19
• US5204334A
  申请人：——

  公开号：US5204334A

  公开（公告）日：1993-04-20