3-amino-5-tert-butyl-2-nitroselenophene | 1021444-04-1

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 3-amino-5-tert-butyl-2-nitroselenophene
• 英文别名: 5-(Tert-butyl)-2-nitroselenophene-3-ylamine；5-tert-butyl-2-nitroselenophen-3-amine
• CAS: 1021444-04-1
• 化学式: C₈H₁₂N₂O₂Se
• 分子量: 247.155
• InChiKey: YGUSLGALIWZEEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.53
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氯-7-甲氧基-6-[3-(吗啉-4-基)丙氧基]喹唑啉 、 3-amino-5-tert-butyl-2-nitroselenophene 、 DMF NaOH 以gave title compound as a yellow color solid, mp 172-174° C的产率得到[5-(tert-butyl)-2-nitroselenophene-3-yl][7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-yl]amine
  参考文献：
  名称：

  Substituted 4-(selenophen-2(or-3)-ylamino)pyrimidine compounds and methods of use thereof

  摘要：

  本文描述了公式（I）的硒杂苯化合物。在公式（I）的化合物中，环A是一个6元芳香融合环，可选地含有一个、两个或三个氮原子；一个5元杂芳融合环；或者是至少有一个环成员选自N、O、S、SO和SO2的单环或双环饱和杂环融合环；环B中的Y是氮或取代的碳；X是NR6、O、S、S（O）或S（O）2。R1、R2、R3、R4和R6在规范中有定义。公式（I）的硒杂苯化合物可用于治疗细胞增殖性疾病，特别是癌症。含有公式（I）的硒杂苯化合物的制药组合物可用于治疗、抑制或控制癌症。

  公开号：

  US08815879B2
• 作为产物：
  描述：

  溴代硝基甲烷 、 (Z)-3-chloro-4,4-dimethyl-pent-2-enenitrile 在 sodium selenide 、 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 、 水 为溶剂， 反应 5.0h， 以62%的产率得到3-amino-5-tert-butyl-2-nitroselenophene
  参考文献：
  名称：

  One-pot synthesis of substituted 3-amino-2-nitrothiophenes and selenophenes

  摘要：

  In this work, we described an easy preparation of substituted 3-amino-2-nitrothiophenes and selenophenes. Substituted beta-chloroacrylonitriles were reacted with sodium sulfide or sodium selenide and bromonitromethane to yield the expected compounds in a one-pot three-step procedure in good yields. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.078

文献信息

• SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED

  公开号：US20130266563A1

  公开（公告）日：2013-10-10

  Selenophene compounds of formula (I) are described herein. In the compounds of Formula (I), ring A is a 6-membered aromatic fused ring, optionally containing one, two or three nitrogen atoms; a 5-membered heteroaromatic fused ring; or a mono- or bicyclic saturated heterocyclic fused ring having at least one ring member selected from the group consisting of N, O, S, SO and SO 2 ; Y in ring B is nitrogen or substituted carbon; X is NR 6 , O, S, S(O), or S(O) 2 . R 1 , R 2 , R 3 , R 4 , and R 6 are defined in the specification. Selenophene compounds of formula (I) may be used in methods of treating cell proliferative disorders, particularly cancer. Pharmaceutical compositions containing selenophene compounds of formula (I) may be used for treatment, inhibition, or control of cancer.

  本文描述了化学式（I）的硒杂苯化合物。在化合物的式（I）中，环A是一个6元芳香融合环，可选地包含一个、两个或三个氮原子；一个5元杂芳融合环；或者一个含有至少一个环成员选自N、O、S、SO和SO2的单环或双环饱和杂环融合环；环B中的Y为氮或取代的碳；X为NR6、O、S、S（O）或S（O）2。R1、R2、R3、R4和R6在说明书中有定义。化学式（I）的硒杂苯化合物可用于治疗细胞增殖性疾病，特别是癌症。含有化学式（I）的硒杂苯化合物的制药组合物可用于治疗、抑制或控制癌症。
• One-pot synthesis of substituted 3-amino-2-nitrothiophenes and selenophenes
  作者：David Thomae、Juan Carlos Rodriguez Dominguez、Gilbert Kirsch、Pierre Seck

  DOI：10.1016/j.tet.2008.01.078

  日期：2008.3

  In this work, we described an easy preparation of substituted 3-amino-2-nitrothiophenes and selenophenes. Substituted beta-chloroacrylonitriles were reacted with sodium sulfide or sodium selenide and bromonitromethane to yield the expected compounds in a one-pot three-step procedure in good yields. (c) 2008 Elsevier Ltd. All rights reserved.
• Substituted 4-(selenophen-2(or-3)-ylamino)pyrimidine compounds and methods of use thereof
  申请人：Kasina Laila Innova Pharmaceuticals Private Limited

  公开号：US08815879B2

  公开（公告）日：2014-08-26

  Selenophene compounds of formula (I) are described herein. In the compounds of Formula (I), ring A is a 6-membered aromatic fused ring, optionally containing one, two or three nitrogen atoms; a 5-membered heteroaromatic fused ring; or a mono- or bicyclic saturated heterocyclic fused ring having at least one ring member selected from the group consisting of N, O, S, SO and SO2; Y in ring B is nitrogen or substituted carbon; X is NR6, O, S, S(O), or S(O)2. R1, R2, R3, R4, and R6 are defined in the specification. Selenophene compounds of formula (I) may be used in methods of treating cell proliferative disorders, particularly cancer. Pharmaceutical compositions containing selenophene compounds of formula (I) may be used for treatment, inhibition, or control of cancer.

  本文描述了公式（I）的硒杂苯化合物。在公式（I）的化合物中，环A是一个6元芳香融合环，可选地含有一个、两个或三个氮原子；一个5元杂芳融合环；或者是至少有一个环成员选自N、O、S、SO和SO2的单环或双环饱和杂环融合环；环B中的Y是氮或取代的碳；X是NR6、O、S、S（O）或S（O）2。R1、R2、R3、R4和R6在规范中有定义。公式（I）的硒杂苯化合物可用于治疗细胞增殖性疾病，特别是癌症。含有公式（I）的硒杂苯化合物的制药组合物可用于治疗、抑制或控制癌症。