摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

1,4,7-tris(tert-butoxycarbonyl)-10-(4-methylthiophenyl)-1,4,7,10-tetraazacyclododecane | 1439371-31-9

中文名称
——
中文别名
——
英文名称
1,4,7-tris(tert-butoxycarbonyl)-10-(4-methylthiophenyl)-1,4,7,10-tetraazacyclododecane
英文别名
Tritert-butyl 10-(4-methylsulfanylphenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate;tritert-butyl 10-(4-methylsulfanylphenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
1,4,7-tris(tert-butoxycarbonyl)-10-(4-methylthiophenyl)-1,4,7,10-tetraazacyclododecane化学式
CAS
1439371-31-9
化学式
C30H50N4O6S
mdl
——
分子量
594.816
InChiKey
XCVPISZUAOBZCR-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    5
  • 重原子数:
    41
  • 可旋转键数:
    8
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.7
  • 拓扑面积:
    117
  • 氢给体数:
    0
  • 氢受体数:
    8

反应信息

  • 作为产物:
    描述:
    4-溴茴香硫醚1,4,7-三叔丁氧羰基-1,4,7,10-四氮杂环十二烷三叔丁基膦三氟甲苯 、 palladium diacetate 、 sodium t-butanolate 作用下, 以 甲苯 为溶剂, 反应 1.0h, 以82%的产率得到1,4,7-tris(tert-butoxycarbonyl)-10-(4-methylthiophenyl)-1,4,7,10-tetraazacyclododecane
    参考文献:
    名称:
    N-Arylation of Protected Azamacrocycles
    摘要:
    A rapid method for efficient palladium-catalyzed N-arylation of polynitrogenated macrocycles is presented. Its applicability for functionalization of protected azamacrocycles of various sizes with substituted aryl bromides of optional electronic properties is demonstrated. The compatibility of the protocol with common N-protecting schemes as well as the impact of electronic versus steric factors is discussed. Using a commercially available catalytic system and easily available alkoxide or phenoxide base, the method provides moderate to excellent yields of N-arylated azamacrocycles (45-96%).
    DOI:
    10.1055/s-0032-1318307
点击查看最新优质反应信息

文献信息

  • N-Arylation of Protected Azamacrocycles
    作者:Máté Erdélyi、Alberte Veiga、Sven Arenz
    DOI:10.1055/s-0032-1318307
    日期:——
    A rapid method for efficient palladium-catalyzed N-arylation of polynitrogenated macrocycles is presented. Its applicability for functionalization of protected azamacrocycles of various sizes with substituted aryl bromides of optional electronic properties is demonstrated. The compatibility of the protocol with common N-protecting schemes as well as the impact of electronic versus steric factors is discussed. Using a commercially available catalytic system and easily available alkoxide or phenoxide base, the method provides moderate to excellent yields of N-arylated azamacrocycles (45-96%).
查看更多