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7-benzyl-6-ethenyl-7H-purine | 199170-74-6

中文名称
——
中文别名
——
英文名称
7-benzyl-6-ethenyl-7H-purine
英文别名
7-Benzyl-6-ethenylpurine
7-benzyl-6-ethenyl-7H-purine化学式
CAS
199170-74-6
化学式
C14H12N4
mdl
——
分子量
236.276
InChiKey
YACBVBOSTAECAL-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):
    2.5
  • 重原子数:
    18
  • 可旋转键数:
    3
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.07
  • 拓扑面积:
    43.6
  • 氢给体数:
    0
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    苯硫酚7-benzyl-6-ethenyl-7H-purine 在 camphor-10-sulfonic acid 作用下, 以 1,2-二氯乙烷 为溶剂, 反应 3.0h, 以36%的产率得到7-benzyl-6-(2-phenylthioethyl)-7H-purine
    参考文献:
    名称:
    Addition of Nucleophiles to 6-Vinylpurines.
    摘要:
    6-Vinylpurines readily participate in nucleophilic addition reactions. Treatment with sodium salts of alcohols and thiols, as well as stabilised carbanions, results in clean conversion into a variety of functionalized purine derivatives. Additions performed in the presence of acid give 1 : 1 adducts together with dimeric purine products. Under acidic conditions the adduct first formed reacts further with another molecule of vinylpurine.
    DOI:
    10.3891/acta.chem.scand.51-1116
  • 作为产物:
    描述:
    三丁基乙烯基锡7-苯基-6-氯-7H-嘌呤bis(triphenylphosphine)palladium(II)-chloride 作用下, 以 四氢呋喃 为溶剂, 反应 3.5h, 以90%的产率得到7-benzyl-6-ethenyl-7H-purine
    参考文献:
    名称:
    Addition of Nucleophiles to 6-Vinylpurines.
    摘要:
    6-Vinylpurines readily participate in nucleophilic addition reactions. Treatment with sodium salts of alcohols and thiols, as well as stabilised carbanions, results in clean conversion into a variety of functionalized purine derivatives. Additions performed in the presence of acid give 1 : 1 adducts together with dimeric purine products. Under acidic conditions the adduct first formed reacts further with another molecule of vinylpurine.
    DOI:
    10.3891/acta.chem.scand.51-1116
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文献信息

  • Addition of Nucleophiles to 6-Vinylpurines.
    作者:Anniken T. Øverås、Anne Kristin Bakkestuen、Lise-Lotte Gundersen、Frode Rise、Michael P. Hartshorn、Manuela Merchán、Ward T. Robinson、Björn O. Roos、Claire Vallance、Bryan R. Wood
    DOI:10.3891/acta.chem.scand.51-1116
    日期:——
    6-Vinylpurines readily participate in nucleophilic addition reactions. Treatment with sodium salts of alcohols and thiols, as well as stabilised carbanions, results in clean conversion into a variety of functionalized purine derivatives. Additions performed in the presence of acid give 1 : 1 adducts together with dimeric purine products. Under acidic conditions the adduct first formed reacts further with another molecule of vinylpurine.
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