4.5-dinitro-2-hydroxy-toluene | 156840-85-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4.5-dinitro-2-hydroxy-toluene
• 英文别名: 4.5-Dinitro-2-hydroxy-toluol；2-methyl-4,5-dinitrophenol
• CAS: 156840-85-6
• 化学式: C₇H₆N₂O₅
• 分子量: 198.135
• InChiKey: OOPXZCWOOWWBKX-UHFFFAOYSA-N

物化性质

• 熔点：
  115 °C
• 沸点：
  432.3±45.0 °C(Predicted)
• 密度：
  1.550±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4.5-dinitro-2-hydroxy-toluene 在 盐酸 、 甲醇 、 sodium hydroxide 、 硫酸 、 tin(ll) chloride 、 sodium nitrite 作用下， 生成 2-甲基-4-硝基苯甲醚
  参考文献：
  名称：

  Introduction to Stephen G. West's Murray Award Address

  摘要：

  I am honored to introduce Stephen G. West, the winner of the Henry A. Murray Award for Outstanding Contributions to Personology and the Study of Human Lives. Steve's contributions as a methodologist and statistician are appreciated by anyone who has struggled with complex interactions and unusual research designs. These empirical innovations have contributed enormously to broadening and deepening the kinds of data that can be used to study personality. Perhaps less apparent, but crucial in his selection for this award, is Steve's leadership in diversifying the field of personality psychology. In his capacity as editor of the Journal of Personality in the 1980s and early 1990s, Steve effectively shepherded personology into the mainstream of personality research. Also important was Steve's willingness not only to mentor his own graduate students, but to rescue a considerable number of strays. In his generativity and inclusiveness, Steve has effectively elevated the field of personality and the persons within it.

  DOI：

  10.1111/1467-6494.7103002
• 作为产物：
  描述：

  5-硝基-2-甲基苯酚 在 sodium nitrate 、 硝酸 作用下， 以 水 为溶剂， 反应 4.0h， 生成 4.5-dinitro-2-hydroxy-toluene
  参考文献：
  名称：

  [EN] FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS
  [FR] AZOLES FUSIONNES TELS QUE BENZIMIDAZOLES, BENZOXAZOLES ET BENZOTHIAZLES 2,5-DISUBSTITUES COMME INHIBITEURS DE KINASE

  摘要：

  这项发明涉及式(I)至(III)的化合物，其中取代基如规范中所定义。这些化合物具有激酶抑制活性，如VEGFR/KDR抑制活性。因此，式(I)至(III)的化合物在预防和治疗与血管生成相关的疾病、眼科疾病、增生性疾病、炎症性疾病以及规范中描述的其他病理状况中将会有用。

  公开号：

  WO2004085425A1

文献信息

• Heterocyclic compounds and methods of use
  申请人：——

  公开号：US20040209892A1

  公开（公告）日：2004-10-21

  Selected compounds are effective for prophylaxis and treatment of diseases, such as angiogenesis mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  选定的化合物对于预防和治疗血管生成介导的疾病等疾病有效。本发明涵盖了新颖的化合物、类似物、前药和其药学上可接受的盐、药物组合物以及预防和治疗癌症等疾病和其他疾病或病况的方法。本发明还涉及制备这些化合物的过程以及在这些过程中有用的中间体。
• Fungicidal and herbicidal compositions, certain cyanomethane and cyanoethene derivatives being active agents thereof, the preparation of these derivatives and methods for combating fungi and weeds
  申请人：FBC LIMITED

  公开号：EP0010396A1

  公开（公告）日：1980-04-30

  There are described pesticidal compositions comprising a compound of formula I, in which X represents a group-CN and Y a cation, or X and Y together form a group of formula II, in which R' and R2, which may be the same or different, eacn represents nydrogen, alkyl, cycloalkyl or benzyl, R3 and R4, which may be the same or different, each represent hydrogen, alkyl, cycloalkyl, phenyl or phenyl substituted by one or more of halogen, alkyl, alkoxy, phenoxy, nitro, amino, -COOR9, -SO3R8 or -CF3, or R3 and R4 together form a 4, 5 or 6 membered metnylene chain which may be fused to a benzene ring, or which may be interrupted by an oxygen atom or by a group -NH-, R6 is -CN, -C(=NH)-NHR8, -CONR9R10, or -CQZR9, R8 represents alkyl or cycloalkyl, R9 and R10, which may be the same or different, each represent hydrogen, alkyl, phenyl or cycloalkyl, and Q and Z, which may be the same or different, each represent oxygen or sulphur, or a suitable derivative thereof, provided that when R6 is -COOC2H5 and R1, R2 and R3 are all hydrogen, then R4 is other than alkyl containing 3, 4 or 5 carbon atoms, together with an agriculturally acceptable adjuvant, diluent or carrier. There are also described methods for making and using the compounds. Certain of the compounds are new.

  所述杀虫剂组合物包含式 I 的化合物、 其中 X 代表基团-CN，Y 代表阳离子，或 X 和 Y 共同形成式 II 的基团、 其中 R' 和 R2（可以相同或不同）各代表氢、烷基、环烷基或苄基、 R3 和 R4（可以相同或不同）各自代表氢、烷基、环烷基、苯基或被卤素、烷基、烷氧基、苯氧基、硝基、氨基、-COOR9、-SO3R8 或-CF3 中的一种或多种取代的苯基，或 R3 和 R4 共同形成 4、5 或 6 分子亚甲基链，该链可与苯环融合，也可被氧原子或基团 -NH- 中断、 R6 是-CN、-C(=NH)-NHR8、-CONR9R10 或-CQZR9、 R8 代表烷基或环烷基、 R9 和 R10 可以相同或不同，各自代表氢、烷基、苯基或环烷基，以及 Q和Z，可以相同或不同，各自代表氧或硫、 或其适当的衍生物、 条件是当 R6 为-COOC2H5 且 R1、R2 和 R3 均为氢时，R4 为不含 3、4 或 5 个碳原子的烷基、 连同农业上可接受的佐剂、稀释剂或载体。 此外，还介绍了制造和使用这些化合物的方法。某些化合物是新化合物。
• FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS
  申请人：AMGEN INC.

  公开号：EP1638954A1

  公开（公告）日：2006-03-29
• US4202698A
  申请人：——

  公开号：US4202698A

  公开（公告）日：1980-05-13
• US4323682A
  申请人：——

  公开号：US4323682A

  公开（公告）日：1982-04-06