2-(2,2-二甲基丙烷酰基)苯甲腈 | 898766-10-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-(2,2-二甲基丙烷酰基)苯甲腈
• 英文名称: 2'-Cyano-2,2-dimethylpropiophenone
• 英文别名: 2-(2,2-dimethylpropanoyl)benzonitrile
• CAS: 898766-10-4
• 化学式: C₁₂H₁₃NO
• mdl: MFCD03841167
• 分子量: 187.24
• InChiKey: SENZRNCWZAQBNT-UHFFFAOYSA-N

物化性质

• 沸点：
  311.8±25.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

文献信息

• L-ALANINE DERIVATIVES
  申请人：Kettle Grant Jason

  公开号：US20090111828A1

  公开（公告）日：2009-04-30

  The present invention relates to compounds that inhibit of a5 b 1 function, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm-blooded animals such as humans of diseases that have a significant angiogenesis or vascular component such as for treatment of solid tumours. The present invention also relates to compounds that inhibit a5 b 1 and also that exhibit appropriate selectivity profile(s) against other integrins.

  本发明涉及抑制a5b1功能的化合物，其制备过程，含有其作为活性成分的制药组合物，以及它们作为药物的使用和用于制造药物以治疗温血动物（如人类）中具有显著血管生成或血管成分的疾病，如固体肿瘤的治疗。本发明还涉及抑制a5b1并且对其他整合素具有适当选择性特征的化合物。
• L-Phenylalanine Derivatives
  申请人：Barry Simon Thomas

  公开号：US20090137601A1

  公开（公告）日：2009-05-28

  The present invention relates to compounds that inhibit of a5b1 function, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm blooded animals such as humans of diseases that have a significant angiogenesis or vascular component such as for treatment of solid tumours. The present invention also relates to compounds that inhibit a5b1, and also that exhibit appropriate selectivity profile(s) against other integrins.

  本发明涉及抑制a5b1功能的化合物，其制备过程，以及包含其作为活性成分的制药组合物，以及它们作为药物在温血动物（如人类）中治疗具有显著血管生成或血管成分的疾病，如实体肿瘤的制剂中的用途。本发明还涉及抑制a5b1的化合物，以及对其他整合素具有适当选择性谱的化合物。
• CHEMICAL COMPOUNDS
  申请人：Arnould Jean Claude

  公开号：US20090203663A1

  公开（公告）日：2009-08-13

  The present invention relates to compounds that inhibit a5b1 function, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm blooded animals such as humans of diseases that have a significant angiogenesis or vascular component such as for treatment of solid tumours. The present invention also relates to compounds that inhibit a5b1, and also that exhibit appropriate selectivity profile(s) against other integrins.

  本发明涉及抑制a5b1功能的化合物，其制备过程，含有它们作为活性成分的制药组合物，它们作为药物的使用以及它们在制造用于治疗具有显著血管生成或血管成分的疾病的药物中的使用，如用于治疗实体肿瘤等温血动物（如人类）。本发明还涉及抑制a5b1的化合物，以及对其他整合素具有适当选择性特征的化合物。
• FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF
  申请人：Qingdao Kingagroot Chemical Compound Co., Ltd.

  公开号：US20210032222A1

  公开（公告）日：2021-02-04

  The invention belongs to the technical field of agricultural chemicals, and in particular relates to a five-membered ring-substituted pyridazinol compound and a derivatives thereof, preparation method, herbicidal composition and application thereof. The compound is as shown in Formula I: wherein, X is halogen, cyano, alkyl, halogenated alkyl, alkoxy, halogenated alkoxy, R 1 R 2 N—(C═O)—, or R 1 R 2 N—, etc.; Ar is Het is a 5-membered unsaturated ring, the ring contains, besides the 1-C atom, 0 to 4 atoms or radicals follows to form the ring: O, NR b , S; R a is one or more groups selected from: hydrogen, halogen, R—O—(CH 2 ) n —, and R 1 R 2 R 3 SiO—, etc.; m is 0 or 1, n and q are independently an integer from 0 to 8, p is an integer from 1 to 8; R is hydrogen, or a halogen-containing or not containing group selected from alkyl, and alkenyl, etc.; R b , R 1 , R 2 , R 3 are each independently hydrogen, nitro, hydroxy, or amino, etc. The compound and the derivative, as well as the composition thereof have very high herbicidal activity and good selectivity, and are safe for crops.
• PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF
  申请人：Qingdao Kingagroot Chemical Compound Co., Ltd.

  公开号：US20210032229A1

  公开（公告）日：2021-02-04

  The invention belongs to the technical field of agricultural chemicals, and in particular relates to a pyridine ring-substituted pyridazinol compound and a derivatives thereof, preparation method, herbicidal composition and application thereof. The compound is as shown in Formula I: wherein, X is halogen, cyano, alkyl, halogenated alkyl, alkoxy, halogenated alkoxy, R 1 R 2 N—(C═O)—, R 1 R 2 N—, hydroxy, or unsubstituted or substituted aryl; Y is independently selected from hydrogen, halogen, cyano, nitro, R—O—(CH 2 ) n —, and R 1 R 2 R 3 SiO—, etc.; r is an integer from 0 to 4, m is 0 or 1, n and q are independently an integer from 0 to 8, p is an integer from 1 to 8; R is hydrogen, or a halogen-containing or not containing group selected from alkyl, alkenyl, alkynyl, and cycloalkyl, etc.; R 1 , R 2 , R 3 are each independently hydrogen, nitro, or hydroxy, etc. The compound and the derivative, as well as the composition thereof have very high herbicidal activity and good selectivity, and are safe for crops.