(AS)-A-甲基-3,5-二硝基-苯甲胺 | 617710-54-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (AS)-A-甲基-3,5-二硝基-苯甲胺
• 英文名称: Benzenemethanamine,a-methyl-3,5-dinitro-,(aS)-
• 英文别名: (1S)-1-(3,5-dinitrophenyl)ethanamine
• CAS: 617710-54-0
• 化学式: C8H9N3O4
• 分子量: 211.17
• InChiKey: USMLPLKAUZIPIG-YFKPBYRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Processes for preparation of bicyclic compounds and intermediates therefor
  申请人：——

  公开号：US20040019223A1

  公开（公告）日：2004-01-29

  A process for preparing intermediate compound (VII), compound (VIII) and compound (XIV) which will be raw materials for the synthesis of a synthetic antibactrial compound, via compound (I) or compound (X) and then, compound (II), the compounds each being shown below; and novel compounds useful for the preparation. 1

  一种制备中间化合物（VII）、化合物（VIII）和化合物（XIV）的方法，这些化合物将作为合成抗菌化合物的原料，通过化合物（I）或化合物（X）以及化合物（II），每种化合物如下所示；以及用于制备的新化合物。
• PROCESSES FOR PREPARING CYCLIC COMPOUNDS
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP0829473A1

  公开（公告）日：1998-03-18

  This invention is to provide a compound represented by the following formula (I) [ in the formula, n is an integer of 2 to 5; R1 represents a hydrogen atom or a substituent group represented by the following formula R1, in which Ra, Rb and Rc each represents a phenyl, phenylmethyl or naphthyl group (which may be substituted with at least one substituent group selected from the group consisting of an alkyl group having 1 to 4 carbon atoms, an alkoxyl group having 1 to 4 carbon atoms, a halogen atom and a nitro group), a hydrogen atom, or an alkyl group having 1 to 4 carbon atoms; and R2 represents a hydrogen atom or an alkyl group having 1 to 4 carbon atoms, with the proviso that a compound, in which n is 2, R1 is a hydrogen atom and R2 is an ethyl group, is excluded] and a compound represented by the following formula (II) useful as an antibacterial agent which is obtained by the compound of folmula (I), and also to provide a novel synthetic process for the inexpensive, short-step and industrially advantageous production thereof.

  本发明旨在提供一种由下式(I)代表的化合物[ 式中，n 为 2 至 5 的整数；R1代表氢原子或下式 R1 所代表的取代基，其中 Ra、Rb 和 Rc 分别代表苯基、苯基甲基或萘基（可被至少一个选自具有 1 至 4 个碳原子的烷基、具有 1 至 4 个碳原子的烷氧基、卤素原子和硝基组成的组的取代基取代）、氢原子或具有 1 至 4 个碳原子的烷基；和 R2 代表氢原子或具有 1 至 4 个碳原子的烷基，但不包括 n 为 2、R1 为氢原子和 R2 为乙基的化合物]以及下式(II)所代表的化合物，该化合物可用作抗菌剂，由对开式(I)的化合物获得，同时还提供一种新的合成工艺，用于生产成本低廉、步骤短且具有工业优势的抗菌剂。
• Processes for preparing cyclic compounds
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1148047A2

  公开（公告）日：2001-10-24

  This invention is to provide a compound represented by the following formula (I) and a compound represented by the following formula (II) useful as an antibacterial agent which is obtained by the compound of formula (I), and also to provide a novel synthetic process for the inexpensive, short-step and industrially advantageous production thereof.    and

  本发明旨在提供一种由下式(I)表示的化合物和一种由下式(II)表示的化合物，该化合物可作为抗菌剂，由式(I)化合物获得，同时还提供一种新的合成工艺，用于生产成本低廉、步骤短且具有工业优势的化合物。 和
• PROCESSES FOR PREPARATION OF BICYCLIC COMPOUNDS AND INTERMEDIATES THEREFOR
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1310487B1

  公开（公告）日：2007-01-03
• US5856518A
  申请人：——

  公开号：US5856518A

  公开（公告）日：1999-01-05