7-chloro-benzo[1,4]dioxin-2-one | 329219-99-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 7-chloro-benzo[1,4]dioxin-2-one
• 英文别名: 6-chloro-1,4-benzodioxin-3-one
• CAS: 329219-99-0
• 化学式: C₈H₅ClO₃
• 分子量: 184.579
• InChiKey: DQTLCBGFLUNKJV-UHFFFAOYSA-N

物化性质

• 沸点：
  290.0±40.0 °C(Predicted)
• 密度：
  1.455±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 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：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2R,5S)-1-(4-fluoro-benzyl)-2,5-dimethyl-piperazine 、 7-chloro-benzo[1,4]dioxin-2-one 以 甲苯 为溶剂， 生成 2-(4-Chloro-2-Hydroxy-Phenoxy)-1-[4-(4-Fluoro-Benzyl)-(2R,5S)-2.5-Dimethyl-Piperazin-1-Yl]-Ethanone
  参考文献：
  名称：

  Methods of using piperazine derivatives

  摘要：

  本发明涉及公式I1的化合物及其药学上可接受的形式；其中X、Y、a、b、c、d、R1、R2、R3、R4和R5如本文所定义。此外，本发明还涉及包含公式I的化合物和药学上可接受的载体的药物组合物。此外，本发明还涉及使用本文所述的化合物和组合物治疗或预防哺乳动物中可通过拮抗CCR1受体治疗或预防的疾病或状况的方法。

  公开号：

  US20040092529A1
• 作为产物：
  描述：

  2-(4-氯-2-羟基苯氧基)乙酸 、 4-甲基苯磺酸吡啶 以 甲苯 为溶剂， 生成 7-chloro-benzo[1,4]dioxin-2-one
  参考文献：
  名称：

  Methods of using piperazine derivatives

  摘要：

  本发明涉及公式I1的化合物及其药学上可接受的形式；其中X、Y、a、b、c、d、R1、R2、R3、R4和R5如本文所定义。此外，本发明还涉及包含公式I的化合物和药学上可接受的载体的药物组合物。此外，本发明还涉及使用本文所述的化合物和组合物治疗或预防哺乳动物中可通过拮抗CCR1受体治疗或预防的疾病或状况的方法。

  公开号：

  US20040092529A1

文献信息

• Novel piperazine derivatives
  申请人：——

  公开号：US20040034034A1

  公开（公告）日：2004-02-19

  The present invention relates to compounds of the formula I 1 and the pharmaceutically acceptable forms thereof; wherein X, Y, a, b, c, d, R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Moreover, the present invention is also directed at pharmaceutical compositions comprising a compound of the formula I and a pharmaceutically acceptable carrier. Furthermore, the present invention is directed at methods of using the herein described compounds and compositions for treating or preventing a disorder or condition that can be treated or prevented by antagonizing the CCR1 receptor in a mammal.

  本发明涉及公式I1的化合物及其药学上可接受的形式；其中X、Y、a、b、c、d、R1、R2、R3、R4和R5的定义如本文所述。此外，本发明还涉及包含公式I的化合物和药学上可接受的载体的制药组合物。此外，本发明还涉及使用上述化合物和组合物治疗或预防哺乳动物中可以通过拮抗CCR1受体来治疗或预防的疾病或症状的方法。
• Piperazine derivatives
  申请人：——

  公开号：US07098212B2

  公开（公告）日：2006-08-29

  The present invention relates to compounds of the formula I and the pharmaceutically acceptable forms thereof; wherein X, Y, a, b, c, d, R1, R2, R3, R4 and R5 are as defined herein. Moreover, the present invention is also directed at pharmaceutical compositions comprising a compound of the formula I and a pharmaceutically acceptable carrier. Furthermore, the present invention is directed at methods of using the herein described compounds and compositions for treating or preventing a disorder or condition that can be treated or prevented by antagonizing the CCR1 receptor in a mammal.

  本发明涉及公式I及其药学上可接受的形式的化合物；其中X、Y、a、b、c、d、R1、R2、R3、R4和R5如本文所定义。此外，本发明还涉及包含公式I化合物和药学上可接受的载体的制药组合物。此外，本发明还涉及使用所述化合物和组合物治疗或预防哺乳动物中可通过拮抗CCR1受体治疗或预防的疾病或病症的方法。
• Photodegradation of Dichlorprop and 2-Naphthoxyacetic Acid in Water. Combined GC−MS and GC−FTIR Study
  作者：Maria José Climent、Miguel A. Miranda

  DOI：10.1021/jf960699l

  日期：1997.5.1

  We have examined the photochemical transformations of dichloroprop (1) and 2-naphthoxyacetic acid (2) in aqueous solution, by means of combined GC-MS and GC-FTTR analysis. Photolysis of I under oxygen atmosphere led to 2-chlorophenol (5), 2,4-dichlorophenol (6), 4-chlorophenol (7), 2,4-dichlorophenyl acetate (8), the lactone of 2-(4-chloro-2-hydroxyphenoxy)propionic acid (9), and 2-(2-chlorophenoxy)propionic acid(10). Irradiation under argon atmosphere led again to 5, 6, 7, and 10 together with 2,4-dichlorophenyl ethyl ether (11). Photolysis of 2 under aerobic conditions gave beta-naphthol (12), together with minor amounts of 2-hydroxy-1-naphthaldehyde (13) and naphtho-[2,1-b]furan-2( 1H)-one (14). Under argon atmosphere only 12 and 14 were detected. Therefore, the most general processes were photolytic cleavage of the aryl-halogen bond (route i) and the aryloxy-carbon bond (route ii). Similar photodegradation pathways had been previously observed for 2,4-D and 4-CPA and were confirmed in this work. The formation of 8, 11, and 13 must occur via cleavage of the carbon-carbon bond alpha to the carboxy group (route iii). Formation of this type of photoproducts in phenoxyalkanoic acid pesticides is unprecedented. Its structure was further assessed by alternative synthesis.
• PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY
  申请人：Pfizer Products Inc.

  公开号：EP1438298A1

  公开（公告）日：2004-07-21
• USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS
  申请人：Pfizer Products Inc.

  公开号：EP1583533A1

  公开（公告）日：2005-10-12