4-(2-Fluoro-benzyloxy)-3,5-dimethyl-benzaldehyde | 851775-90-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(2-Fluoro-benzyloxy)-3,5-dimethyl-benzaldehyde
• 英文别名: 4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde
• CAS: 851775-90-1
• 化学式: C₁₆H₁₅FO₂
• mdl: MFCD12556668
• 分子量: 258.292
• InChiKey: CNCLBSIPESQLGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.187
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-Fluoro-benzyloxy)-3,5-dimethyl-benzaldehyde 、 N-乙酰基乙二胺 在 titanium(IV) isopropylate 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 18.0h， 以86%的产率得到N-{2-[4-(2-Fluoro-benzyloxy)-3,5-dimethyl-benzylamino]-ethyl}-acetamide
  参考文献：
  名称：

  N-acyl-N'-benzyl-alkylendiamino drivatives

  摘要：

  这项发明涉及以下一般式I的N-酰-N'-苄基烷基二氨基衍生物的化合物和用途： 其中A是直链或支链的C2-C8烷基链；X是亚甲基、氧、硫或NR7基团；R1是直链或支链的C1-C8烷基或C3-C8烯基或C3-C8炔基链，可选择地用CF3、苯基、苯氧基或萘基取代，芳香环可选择地通过一个或多个C1-C4烷基、卤素、三氟甲基、羟基或C1-C4烷氧基团取代；R2、R3独立地是氢、C1-C3烷基链、卤素、三氟甲基、羟基或C1-C4烷氧基团；R4、R5独立地是氢或C1-C6烷基；R6是氢或直链或支链的C1-C8烷基，或与R5连接形成五至七元杂环内酰胺；R7是氢或C1-C6烷基；以及其药用可接受盐，作为钠和/或钙通道调节剂活性，因此在预防、缓解和治疗包括但不限于神经学、精神病学、心血管、炎症、眼科、泌尿学、代谢和胃肠疾病在内的广泛病理学中具有用途，上述机制被描述为发挥病理作用。

  公开号：

  EP1535908A1
• 作为产物：
  描述：

  2-氟溴苄 、 3,5-二甲基-4-羟基苯甲醛 在 potassium iodide potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 以100%的产率得到4-(2-Fluoro-benzyloxy)-3,5-dimethyl-benzaldehyde
  参考文献：
  名称：

  Histidine derivatives

  摘要：

  这项发明涉及以下一般式（I）的新型组氨酸衍生物 其中 X是亚甲基、氧、硫或NR8基团； R1是直链或支链C1-C8烷基或C3-C8烯基或C3-C8炔基链，可选择地取代为CF3、苯基、苯氧基或萘基，芳香环可选择地取代为一个或多个C1-C4烷基、卤素、三氟甲基、羟基或C1-C4烷氧基； R2、R3独立地是氢、C1-C3烷基链、卤素、三氟甲基、羟基或C1-C4烷氧基； R4、R5、R6、R7、R8独立地是氢或C1-C4烷基； 以及其药用盐，作为钠和/或钙通道调节剂具有活性，因此在预防、缓解和治疗包括但不限于神经学、精神病学、心血管、炎症、眼科、泌尿学、代谢和胃肠疾病在内的广泛病理学中有用，上述机制已被描述为发挥病理作用。

  公开号：

  EP1533302A1

文献信息

• Cyclopentyl Derivatives
  申请人：Newron Pharmaceuticals S.p.A.

  公开号：EP1533295A1

  公开（公告）日：2005-05-25

  This invention is related to novel cyclopentyl derivatives of the following general formula (I)    wherein Xis methylene, oxygen, sulphur or a NR7 group; R1is a straight or branched C1-C8 alkyl or C3-C8 alkenylene or C3-C8 alkynylene chain, optionally substituted with CF3, phenyl, phenoxy or naphthyl, the aromatic rings optionally substituted by one or more C1-C4 alkyl, halogens, trifluoromethyl, hydroxy or C1-C4 alkoxy groups; R2, R3are independently hydrogen, a C1-C3 alkyl chain,halogen, trifluoromethyl, hydroxy or C1-C4 alkoxy groups; R4, R5, R6, R7are independently hydrogen or C1-C6 alkyl;    and the pharmaceutically acceptable salts thereof that are active as sodium and/or calcium channel modulators and therefore useful in preventing, alleviating and curing a wide range of pathologies, including, but not limited to, neurological, psychiatric, cardiovascular, inflammatory, ophthalmic, urologic, metabolic and gastrointestinal diseases, where the above mechanisms have been described as playing a pathological role.

  本发明涉及以下通式（I）的新型环戊基衍生物：其中X为亚甲基，氧，硫或NR7基团；R1为直链或支链C1-C8烷基或C3-C8烯基或C3-C8炔基链，可选地取代CF3，苯基，苯氧基或萘基，芳香环可选地取代一个或多个C1-C4烷基，卤素，三氟甲基，羟基或C1-C4烷氧基；R2，R3独立地为氢，C1-C3烷基链，卤素，三氟甲基，羟基或C1-C4烷氧基；R4，R5，R6，R7独立地为氢或C1-C6烷基；以及其药学上可接受的盐，作为钠和/或钙通道调节剂活性，因此在预防，缓解和治愈广泛的病理学中有用，包括但不限于神经，精神，心血管，炎症，眼科，泌尿学，代谢和胃肠疾病，其中上述机制已被描述为发挥病理作用。
• Cyclopentyl derivatives
  申请人：Melloni Piero

  公开号：US20070066688A1

  公开（公告）日：2007-03-22

  This invention is related to novel cyclopentyl derivatives of the following general Formula (I), wherein X is methylene, oxygen, sulphur or a NR 7 group; R 1 is a straight or branched C 1 -C 8 alkyl or C 3 -C 8 alkenylene or C 3 -C 8 alkynylene chain, optionally substituted with CF 3 , phenyl, phenoxy or naphthyl, the aromatic rings optionally substituted by one or more C 1 -C 4 alkyl, halogens, trifluoromethyl, hydroxy or C 1 - C4 alkoxy groups; R 2 , R 3 are independently hydrogen, a C 1 -C 3 alkyl chain, halogen, trifluoromethyl, hydroxy or C 1 -C 4 alkoxy groups; R 4 , R 5 , R 6 , R 7 are independently hydrogen or C 1 -C 6 alkyl; and the pharmaceutically acceptable salts thereof that are active as sodium and/or calcium channel modulators and therefor useful in preventing, alleviating and curing a wide range of pathologies, including, but not limited to, neurological, psychiatric, cardiovascular, inflammatory, ophthalmic, urologic, metabolic and gastrointestinal diseases, where the above mechanisms have been described as playing a pathological role.

  本发明涉及以下通式（I）的新型环戊基衍生物，其中X为亚甲基，氧，硫或NR7基团；R1为直链或支链C1-C8烷基或C3-C8烯基或C3-C8炔基链，可选用CF3，苯基，苯氧基或萘基进行取代，芳香环可选用一个或多个C1-C4烷基，卤素，三氟甲基，羟基或C1-C4烷氧基进行取代；R2，R3独立地为氢，C1-C3烷基链，卤素，三氟甲基，羟基或C1-C4烷氧基；R4，R5，R6，R7独立地为氢或C1-C6烷基；以及其药学上可接受的盐，其作为钠和/或钙通道调节剂具有活性，因此在预防，缓解和治疗广泛的病理学方面有用，包括但不限于神经，精神，心血管，炎症，眼科，泌尿科，代谢和胃肠疾病，其中上述机制已被描述为发挥病理作用。
• N-acyl-n'-benzyl-alkylendiamino derivatives
  申请人：Thaler Florian

  公开号：US20070142455A1

  公开（公告）日：2007-06-21

  This invention is related to compounds and use of N-Acyl-N′-benzyl-alkylendiamino derivatives of the following general formula (I), wherein A is a straight or branched C 2 -C 8 alkyl chain; X is a methylene, oxygen, sulphur or a NR 7 group; R 1 is a straight or branched C 1 -C 8 alkyl or C 3 -C 8 alkenylene or C 3 -C 8 alkynylene chain, optionally substituted with CF 3 , phenyl, phenoxy or naphthyl, the aromatic rings optionally substituted by one or more C 1 -C 4 alkyl, halogens, trifluoromethyl, hydroxy or C 1 -C 4 alkoxy groups; R 2 , R 3 are independently hydrogen, a C 1 -C 3 alkyl chain, halogen, trifluoromethyl, hydroxy or C 1 -C 4 alkoxy groups; R 4 , R 5 are independently hydrogen or C 1 -C 6 alkyl; R 6 is a hydrogen or a straight or branched C 1 -C 8 alkyl or linked to R 5 can form a five to seven membered lactam; R 7 is hydrogen or C 1 -C 6 alkyl; and the pharmaceutically acceptable salts thereof that are active as sodium and/or calcium channel modulators and therefore useful in preventing, alleviating and curing a wide range of pathologies, including, but not limited to, neurological, psychiatric, cardiovascular, inflammatory, ophthalmic, urologic, metabolic and gastrointestinal diseases, where the above mechanisms have been described as playing a pathological role.

  本发明涉及以下一般式（I）的N-酰基-N'-苄基-烷基二氨基衍生物的化合物和用途，其中A是直链或支链C2-C8烷基链; X是亚甲基，氧原子，硫或NR7基团; R1是直链或支链C1-C8烷基或C3-C8烯基或C3-C8炔基链，可以选择性地用CF3，苯基，苯氧基或萘基取代，芳香环可以选择性地用一个或多个C1-C4烷基，卤素，三氟甲基，羟基或C1-C4烷氧基取代; R2，R3独立地是氢，C1-C3烷基链，卤素，三氟甲基，羟基或C1-C4烷氧基; R4，R5独立地是氢或C1-C6烷基; R6是氢或直链或支链C1-C8烷基或与R5连接形成五至七元环内酰胺; R7是氢或C1-C6烷基; 及其药学上可接受的盐，其作为钠和/或钙通道调节剂具有活性，因此在预防，缓解和治愈广泛的病理学，包括但不限于神经，精神，心血管，炎症，眼科，泌尿科，代谢和胃肠疾病中有用，其中上述机制已被描述为发挥病理学作用。
• N-acyl-N′-benzyl-alkylendiamino derivatives
  申请人：Newron Pharmaceuticals S.p.A.

  公开号：US07411091B2

  公开（公告）日：2008-08-12

  This invention is related to compounds and use of N-Acyl-N′-benzyl-alkylendiamino derivatives of the following general formula (I), wherein A is a straight or branched C2-C8 alkyl chain; X is a methylene, oxygen, sulphur or a NR7 group; R1 is a straight or branched C1-C8 alkyl or C3-C8 alkenylene or C3-C8 alkynylene chain, optionally substituted with CF3, phenyl, phenoxy or naphthyl, the aromatic rings optionally substituted by one or more C1-C4 alkyl, halogens, trifluoromethyl, hydroxy or C1-C4 alkoxy groups; R2, R3 are independently hydrogen, a C1-C3 alkyl chain, halogen, trifluoromethyl, hydroxy or C1-C4 alkoxy groups; R4, R5 are independently hydrogen or C1-C6 alkyl; R6 is a hydrogen or a straight or branched C1-C8 alkyl or linked to R5 can form a five to seven membered lactam; R7 is hydrogen or C1-C6 alkyl; and the pharmaceutically acceptable salts thereof that are active as sodium and/or calcium channel modulators and therefore useful in preventing, alleviating and curing a wide range of pathologies, including, but not limited to, neurological, psychiatric, cardiovascular, inflammatory, ophthalmic, urologic, metabolic and gastrointestinal diseases, where the above mechanisms have been described as playing a pathological role

  本发明涉及以下通用式（I）的N-Acyl-N′-benzyl-alkylendiamino衍生物的化合物和用途，其中A是直链或支链C2-C8烷基链；X是亚甲基，氧，硫或NR7基团；R1是直链或支链C1-C8烷基或C3-C8烯基或C3-C8炔基链，可选地用CF3，苯基，苯氧基或萘基取代，芳环可选择地用一个或多个C1-C4烷基，卤素，三氟甲基，羟基或C1-C4烷氧基取代；R2，R3分别是氢，C1-C3烷基链，卤素，三氟甲基，羟基或C1-C4烷氧基；R4，R5分别是氢或C1-C6烷基；R6是氢或直链或支链C1-C8烷基或与R5连接可形成五至七元环内酰胺；R7是氢或C1-C6烷基；以及其药学上可接受的盐，作为钠和/或钙通道调节剂而具有活性，因此在预防，缓解和治愈广泛的病理学作用方面有用，包括但不限于神经，精神，心血管，炎症，眼科，泌尿学，代谢和胃肠疾病，其中上述机制已被描述为发挥病理学作用。
• CYCLOPENTYL DERIVATES
  申请人：Newron Pharmaceuticals S.p.A.

  公开号：EP1687259A1

  公开（公告）日：2006-08-09