4-bromo-3-fluoro-N,N-dimethylaniline | 1352218-99-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-bromo-3-fluoro-N,N-dimethylaniline
• CAS: 1352218-99-5
• 化学式: C₈H₉BrFN
• 分子量: 218.07
• InChiKey: XJMQJBUNUWPJGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES<br/>[FR] DÉRIVÉS DE PURINE EN TANT QUE MÉDICAMENTS POUR LE TRAITEMENT D'UNE LÉSION CÉRÉBRALE HYPOXIQUE-ISCHÉMIQUE NÉONATALE ET DE MALADIES ASSOCIÉES
  申请人：COMMISSARIAT ENERGIE ATOMIQUE

  公开号：WO2021214315A1

  公开（公告）日：2021-10-28

  The present invention relates to a compound of formula (I), for use in the treatment of non-traumatic acquired brain injury, in which M represents a NR1R2 group, an OR1 group or a SR1 group, A represents a NR4R5 group, an OR10 group or a hydrogen atom, R3 is a (C1-C6)alkyl group, a (C1-C6)cycloalkyl group, an aryl group, a -CH2-aryl group, a CH2-(C1-C6)cycloalkyl group or a -CH2-heteroaryl group, and its addition salts with pharmaceutically acceptable acids. The present invention further relates to a compound of formula (I) wherein R5 is a (C1-C8)alkyl group or a (C1-C6)cycloalkyl group, said alkyl and cycloalkyl group being substituted with one, two or three -OCORa group(s).

  本发明涉及一种具有式（I）的化合物，用于治疗非创伤性获得性脑损伤，其中M代表NR1R2基团、OR1基团或SR1基团，A代表NR4R5基团、OR10基团或氢原子，R3是（C1-C6）烷基基团、（C1-C6）环烷基基团、芳基、-CH2-芳基、CH2-(C1-C6)环烷基基团或-CH2-杂芳基，以及其与药学上可接受的酸形成的加合盐。本发明还涉及式（I）中R5为（C1-C8）烷基基团或（C1-C6）环烷基基团的化合物，所述烷基和环烷基基团被一个、两个或三个-OCORa基团取代。
• TRANSITION METAL COMPLEX LIGAND AND OLEFIN POLYMERIZATION CATALYST CONTAINING TRANSITION METAL COMPLEX
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1683802A1

  公开（公告）日：2006-07-26

  The invention provides a transition metal complex of formula (3) below: wherein R1, R2, R3, R4, R5, R6, R7 and R8 are the same or different and each independently represents a hydrogen atom, a halogen atom or a substituted or unsubstituted alkyl group having 1 to 10 carbon atom(s); R5 represents a hydrogen atom, a fluorine atom or a substituted or unsubstituted alkyl group having 1 to 10 carbon atom(s); X1 represents a hydrogen atom, a halogen atom or a substituted or unsubstituted alkyl group having 1 to 10 carbon atom(s); L represents a balancing counter ion or neutral ligand similar to X1 that is bonding or coordinating to metal M; and q represents an integer of 0 or 1, and G20 represents any one of G21 to G 26 below: where A1 represents an element of Group 15 of the periodic table, wherein A1 in G23 represents an anion of an element of Group 15 of the periodic table, and A1 in G21 represents a nitrogen atom; R9,R14, R12, R13, R19, R20, R10, R11, R15, R16, R17, R18, R19, R20, R21 and R22 each independently represents, a hydrogen atom; or a substituted or unsubstituted alkyl groups having 1 to 10 carbon atom(s), and the line linking M and R20 represents that M is coordinated or linked to an element of Group 15 or 16 of the periodic table or to a fluorine atom constituting R20.

  本发明提供了下式（3）的过渡金属配合物： 其中 R1、R2、R3、R4、R5、R6、R7 和 R8 相同或不同，且各自独立地代表氢原子、卤素原子或具有 1 至 10 个碳原子的取代或未取代的烷基；R5 代表氢原子、氟原子或具有 1 至 10 个碳原子的取代或未取代的烷基；X1 代表氢原子、卤素原子或具有 1 至 10 个碳原子的取代或未取代的烷基； L 代表与 X1 类似的平衡配位离子或中性配位体，与金属 M 结合或配位；以及 q 代表 0 或 1 的整数，且 G20 代表下文 G21 至 G 26 中的任一个： 其中 A1 代表元素周期表中第 15 族元素，G23 中的 A1 代表元素周期表中第 15 族元素的阴离子，G21 中的 A1 代表氮原子； R9、R14、R12、R13、R19、R20、R10、R11、R15、R16、R17、R18、R19、R20、R21 和 R22 各自独立地代表、 一个氢原子；或 具有 1 至 10 个碳原子的取代或未取代的烷基，以及 连接 M 和 R20 的直线代表 M 与元素周期表中的第 15 或 16 族元素或构成 R20 的氟原子配位或连接。
• Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2272852A1

  公开（公告）日：2011-01-12

  The invention provides a transition metal complex of formula (3) below: wherein R1, R2, R3, R4, R5, R6, R7 and R8 are the same or different and each independently represents a hydrogen atom, a halogen atom or a substituted or unsubstituted alkyl group having 1 to 10 carbon atom(s); R5 represents a hydrogen atom, a fluorine atom or a substituted or unsubstituted alkyl group having 1 to 10 carbon atom(s); X1 represents a hydrogen atom, a halogen atom or a substituted or unsubstituted alkyl group having 1 to 10 carbon atom(s); L represents a balancing counter ion or neutral ligand similar to X1 that is bonding or coordinating to metal M; and q represents an integer of 0 or 1, and G20 represents any one of G21 to G 26 below: where A1 represent an element of Group 15 of the periodic table, wherein A1 in G23 represents an anion of an element of Group 15 of the periodic table, and A1 in G21 represents a nitrogen atom; R9, R14, R12, R13, R19, R20, R10, R11, R15, R16, R17, R18, R19, R20, R31 and R22 each independently represents, a hydrogen atom; or a substituted or unsubstituted alkyl groups having 1 to 10 carbon atom(s), and the line linking M and R20 represents that M is coordinated or linked to an element of Group 15 or 16 of the periodic table or to a fluorine atom constituting R20.

  本发明提供了下式（3）的过渡金属配合物： 其中 R1、R2、R3、R4、R5、R6、R7 和 R8 相同或不同，且各自独立地代表氢原子、卤素原子或具有 1 至 10 个碳原子的取代或未取代的烷基；R5 代表氢原子、氟原子或具有 1 至 10 个碳原子的取代或未取代的烷基；X1 代表氢原子、卤素原子或具有 1 至 10 个碳原子的取代或未取代的烷基； L 代表与 X1 类似的平衡配位离子或中性配位体，与金属 M 结合或配位；以及 q 代表 0 或 1 的整数，且 G20 代表下文 G21 至 G 26 中的任一个： 其中 A1 代表元素周期表中第 15 族元素，G23 中的 A1 代表元素周期表中第 15 族元素的阴离子，G21 中的 A1 代表氮原子； R9、R14、R12、R13、R19、R20、R10、R11、R15、R16、R17、R18、R19、R20、R31 和 R22 各自独立地代表、 一个氢原子；或 具有 1 至 10 个碳原子的取代或未取代的烷基，以及 连接 M 和 R20 的直线代表 M 与元素周期表中的第 15 或 16 族元素或构成 R20 的氟原子配位或连接。
• PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES
  申请人：Commissariat à l'énergie atomique et aux énergies alternatives

  公开号：EP3901154A1

  公开（公告）日：2021-10-27

  The present invention relates to a compound of formula (I), for use in the treatment of non-traumatic acquired brain injury, in which M represents a NR1R2 group, an OR1 group or a SR1 group, A represents a NR4R5 group, an OR10 group or a hydrogen atom, R3 is a (C1-C6)alkyl group, a (C1-C6)cycloalkyl group, an aryl group, a -CH2-aryl group, a CH2-(C1-C6)cycloalkyl group or a -CH2-heteroaryl group, and its addition salts with pharmaceutically acceptable acids. The present invention further relates to a compound of formula (I) wherein R5 is a (C1-C8)alkyl group or a (C1-C6)cycloalkyl group, said alkyl and cycloalkyl group being substituted with one, two or three -OCORa group(s).

  本发明涉及一种用于治疗非创伤性后天性脑损伤的式 (I) 化合物、 其中M代表NR1R2基团、OR1基团或SR1基团，A代表NR4R5基团、OR10基团或氢原子，R3是(C1-C6)烷基、(C1-C6)环烷基、芳基、-CH2-芳基、CH2-(C1-C6)环烷基或-CH2-杂芳基，及其与药学上可接受的酸的加成盐。 本发明进一步涉及式 (I) 的化合物，其中 R5 是 (C1-C8) 烷基或 (C1-C6) 环烷基，所述烷基和环烷基被一个、两个或三个 -OCORa 基团取代。
• US7482414B2
  申请人：——

  公开号：US7482414B2

  公开（公告）日：2009-01-27