5-Chlor-6-nitro-phthalid | 89891-84-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 英文名称: 5-Chlor-6-nitro-phthalid
• 英文别名: 5-chloro-6-nitroisobenzofuran-1(3H)-one；5-chloro-6-nitro-3H-isobenzofuran-1-one；5-Chloro-6-nitro-1(3H)-isobenzofuranone；5-chloro-6-nitro-3H-2-benzofuran-1-one
• CAS: 89891-84-9
• 化学式: C₈H₄ClNO₄
• 分子量: 213.577
• InChiKey: JDOCMHSWCFJCIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-Chlor-6-nitro-phthalid 在 sodium azide 、 5%-palladium/activated carbon 、 氢气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 5.0~20.0 ℃ 、2.0 MPa 条件下， 反应 5.0h， 生成 5,6-diaminoisobenzofuran-1(3H)-one
  参考文献：
  名称：

  Efficient syntheses of the versatile phthalide building blocks, 5,6-diaminoisobenzofuran-1(3H)-one and 5H,7H-furo[3,4-f][2,1,3]benzothiadiazol-5-one

  摘要：

  A new and efficient synthesis of 5,6-diaminophthalide and a novel thiadiazolophthalide has been accomplished. Both molecules are useful starting compounds for the construction of more complex heterocyclic systems and for the preparation of bioisosteres of methylenedioxyphenyl derivatives. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.088
• 作为产物：
  描述：

  5-氯-1(3h)-异苯并呋喃酮 在 硫酸 、 硝酸 作用下， 反应 4.5h， 以85%的产率得到5-Chlor-6-nitro-phthalid
  参考文献：
  名称：

  Efficient syntheses of the versatile phthalide building blocks, 5,6-diaminoisobenzofuran-1(3H)-one and 5H,7H-furo[3,4-f][2,1,3]benzothiadiazol-5-one

  摘要：

  A new and efficient synthesis of 5,6-diaminophthalide and a novel thiadiazolophthalide has been accomplished. Both molecules are useful starting compounds for the construction of more complex heterocyclic systems and for the preparation of bioisosteres of methylenedioxyphenyl derivatives. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.088

文献信息

• Efficient syntheses of the versatile phthalide building blocks, 5,6-diaminoisobenzofuran-1(3H)-one and 5H,7H-furo[3,4-f][2,1,3]benzothiadiazol-5-one
  作者：Balázs Molnár、Gyula Simig、Tibor Bakó、András Dancsó、Balázs Volk

  DOI：10.1016/j.tetlet.2012.03.088

  日期：2012.6

  A new and efficient synthesis of 5,6-diaminophthalide and a novel thiadiazolophthalide has been accomplished. Both molecules are useful starting compounds for the construction of more complex heterocyclic systems and for the preparation of bioisosteres of methylenedioxyphenyl derivatives. (C) 2012 Elsevier Ltd. All rights reserved.