3-nitro-2-tert-butylthiophene | 1220353-51-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-nitro-2-tert-butylthiophene
• 英文别名: 2-Tert-butyl-3-nitrothiophene
• CAS: 1220353-51-4
• 化学式: C₈H₁₁NO₂S
• 分子量: 185.247
• InChiKey: QSWUHHVQANZKGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 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：
  74.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-tert-butyl-4-nitrotetrahydrothiophen-3-ol 在 四氯苯醌 、 potassium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 2.07h， 以64%的产率得到3-nitro-2-tert-butylthiophene
  参考文献：
  名称：

  Facile Synthesis of 3-Nitro-2-substituted Thiophenes

  摘要：

  A new approach to 3-nitro-2-substituted thiophenes has been developed. Exposure of commercially available 1,4-dithane-2,5-diol to nitroalkenes in the presence of 20% triethylamine results in a tandem Michael intramolecular Henry reaction to form the corresponding tetrahydrothiophene. Subsequent microwave irradiation on acidic alumina in the presence of chloranil effects the solvent free dehydration and aromatization to form 3-nitro-2-substituted thiophenes cleanly and rapidly. A simple workup procedure removes the requirement for purification by chromatography in most cases.

  DOI：

  10.1021/jo902656y

文献信息

• TREATMENT OF BLOOD CANCER
  申请人：Curd Karen

  公开号：US20130296273A1

  公开（公告）日：2013-11-07

  Hypoxia activated prodrugs, such as, e.g., TH-281, TH-302, and TH-308, are useful for the treatment of various blood cancers, such as acute leukemias, chronic leukemias, MDS, MF, and multiple myeloma.
• UNIT DOSE FORM FOR ORAL ADMINISTRATION
  申请人：Jung Donald

  公开号：US20140072624A1

  公开（公告）日：2014-03-13

  Formulations and unit dose forms of TH-302 and other hypoxia activated prodrugs suitable for oral administration are useful for treating cancer.
• ADMINISTRATION OF HYPOXIA ACTIVATED PRODRUGS IN COMBINATION WITH CHK1 INHIBITORS FOR TREATING CANCER
  申请人：THRESHOLD PHARMACEUTICALS, INC.

  公开号：US20150005263A1

  公开（公告）日：2015-01-01

  Cancer can be treated by administration of TH-302 in combination with a Chk1 inhibitor.
• HYPOXIA ACTIVATED PRODRUGS AND MTOR INHIBITORS FOR TREATING CANCER
  申请人：THRESHOLD PHARMACEUTICALS, INC.

  公开号：US20150005262A1

  公开（公告）日：2015-01-01

  Cancer is treated by administration of a hypoxia activated prodrug in combination with an mTOR inhibitor.
• US9254299B2
  申请人：——

  公开号：US9254299B2

  公开（公告）日：2016-02-09