2-phenylmethoxymethyl-decahydro-2a,4a,6a,8a-tetraazacyclo-pent[fg]acenaphthylene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡嗪类
• 英文名称: 2-phenylmethoxymethyl-decahydro-2a,4a,6a,8a-tetraazacyclo-pent[fg]acenaphthylene
• 英文别名: 2-(Phenylmethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane
• 化学式: C₁₈H₂₆N₄O
• 分子量: 314.431
• InChiKey: TXQBOUZRPGQZKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  22.2
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Process for the preparation of decahydro-2a,4a,6a,8a-tetraazacyclopent[fg]acenaphthylene and functionalized derivatives
  申请人：——

  公开号：US20040014974A1

  公开（公告）日：2004-01-22

  A process for the preparation of compound of formula (I A), decahydro-2a,4a,6a,8a-tetraazacyclopent[fg]accnaphthylene and the corresponding functionalized compounds of general formula (1), intermediates for the preparation of 1,4,7,10-tetraazacyclododecane (II A) and corresponding derivatives (II), by preparation of compounds of general formula (III) and subsequent reduction thereof. 1

  一种制备化合物的方法，该化合物的化学式为（I A），即十氢-2a,4a,6a,8a-四氮杂环戊[fg]环癸啶和一般化学式（1）的相应官能化化合物，用于制备1,4,7,10-四氮杂环十二烷（II A）及其衍生物（II），通过制备一般化学式（III）的化合物并随后对其进行还原。
• A PROCESS FOR THE PREPARATION OF DECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENT[FG]ACENAPHTHYLENE AND FUNCTIONALIZED DERIVATIVES
  申请人：BRACCO International B.V.

  公开号：EP1272493B1

  公开（公告）日：2005-10-19
• US6897311B2
  申请人：——

  公开号：US6897311B2

  公开（公告）日：2005-05-24
• [EN] A PROCESS FOR THE PREPARATION OF DECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENT[FG]ACENAPHTHYLENE AND FUNCTIONALIZED DERIVATIVES<br/>[FR] PROCEDE DE PREPARATION DE DECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENT CENT FG!ACENAPHTHYLENE ET DE DERIVES FONCTIONNALISES
  申请人：BRACCO INT BV

  公开号：WO2001079207A2

  公开（公告）日：2001-10-25

  A process for the preparation of compound of formula (IA), decahedra-2a,4a,6a,8a-tetraazaccyclopent[fg]acenaphthylene and the corresponding functionalised compounds of general formula (I), which comprises 2 steps; a) the preparation of compounds of general formula (III) and b) subsequent reduction thereof. R are both hydrogen, or one is hydrogen and the other is a straight or branched C1-C4 alkyl group, optionally substituted with one or more -OPg- protected groups, in which Pg is a hydroxy - protecting group. Y1 or Y2 is -CH2-CH2 and the other is -Co-Co- or a group of formula -COCHR, wherein R has the meaning defined above.