1-[3-(methylsulfonyloxy)propyl]-2-fluorobenzene | 166949-93-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[3-(methylsulfonyloxy)propyl]-2-fluorobenzene
• 英文别名: 3-(2-fluorophenyl)-propyl methanesulfonate；3-(2-fluorophenyl) propyl methanesulfonate；2-Fluorophenylpropyl mesylate；3-(2-fluorophenyl)propyl methanesulfonate
• CAS: 166949-93-5
• 化学式: C₁₀H₁₃FO₃S
• 分子量: 232.276
• InChiKey: QDJPXFPRYRDYJZ-UHFFFAOYSA-N

物化性质

• 沸点：
  373.2±25.0 °C(Predicted)
• 密度：
  1.242±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[3-(methylsulfonyloxy)propyl]-2-fluorobenzene 在 sodium iodide 作用下， 以 丙酮 为溶剂， 生成 茚满
  参考文献：
  名称：

  苯甲酸系烷基锂的生成和环化：4-取代茚满的制备。

  摘要：

  DOI：

  10.1021/jo972065z
• 作为产物：
  描述：

  3-(2-氟苯基)丙酸 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 1-[3-(methylsulfonyloxy)propyl]-2-fluorobenzene
  参考文献：
  名称：

  苯甲酸系烷基锂的生成和环化：4-取代茚满的制备。

  摘要：

  DOI：

  10.1021/jo972065z

文献信息

• Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido(1,2-a)pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo(1,2-a)pyrimidin-5(1H)one derivatives
  申请人：SANOFI-SYNTHELABO

  公开号：EP1295885A1

  公开（公告）日：2003-03-26

  The invention relates to a pyrimidone derivative represented by formula (I) or a salt thereof wherein: X represents two hydrogen atoms, a sulphur atom, an oxygen atom or a C1-2 alkyl group and a hydrogen atom; Y represents a bond, an ethenylene group, an ethynylene group, an oxygen atom, a sulphur atom, a sulfonyl group, a sulfoxide group, a carbonyl group, a hydroxyiminomethylene group, a dioxolan group, a nitrogen atom being optionally substituted; or a methylene group optionally substituted; R1 represents a 2, 3 or 4-pyridyl group optionally substituted by a C3-6 cycloalkyl group, a C1-4 alkyl group, a C1-4 alkoxy group, a benzyl group or a halogen atom;    when Y represents a bond, a methylene group optionally substituted , a hydroxyiminomethylene group, a dioxolan group or a carbonyl group then R2 represents a C1-6 alkyl group optionally; a C3-6 cycloalkyl group, a C1-4 alkylthio group, a C1-4 alkoxy group, a C1-2 perhalogenated alkyl group, a C1-3 halogenated alkyl group, a phenylthio group, a benzyl group, a phenyl ring, a 5,6,7,8-tetrahydronaphthyl ring, a naphthyl ring, a pyridyl ring, a pyrrole ring, a thiophene ring, a furan ring or an imidazole ring ;    when Y represents a ethenylene group, a ethynylene group, an oxygen atom, a sulphur atom, a sulfonyl group, a sulfoxyde group or a nitrogen atom being optionally substituted then R2 represents a C1-6 alkyl group optionally substituted by a hydroxy group, a C6,10 aryloxy or a C6,10 arylamino group; a C3-6 cycloalkyl group, a C1-2 perhalogenated alkyl group, a C1-3 halogenated alkyl group, a benzyl group, a phenyl ring, a 5,6,7,8-tetrahydronaphthyl ring, a naphthyl ring, a C6,10 arylamino, a pyridyl ring, a pyrrole ring, a thiophene ring, a furan ring or an imidazole ring ; R3 and R4 represents, each independently, a hydrogen atom, a C1-6 alkyl group, a hydroxy group, a C1-4 alkoxy group or a halogen atom; R5 represents a hydrogen atom, a C1-6 alkyl group or a halogen atom; with the proviso that when R3 and R4 represent each a hydrogen atom then R5 is not a hydrogen atom; The invention relates also to a medicament comprising the said derivative or a salt thereof as an active ingredient which is used for preventive and/or therapeutic treatment of a neurodegenerative disease caused by abnormal activity of GSK3β or GSK3β and cdk5/p25, such as Alzheimer disease.

  该发明涉及一种由式（I）表示的吡啶酮衍生物或其盐，其中：X代表两个氢原子、一个硫原子、一个氧原子或一个C1-2烷基和一个氢原子；Y代表一个键、一个乙烯基团、一个乙炔基团、一个氧原子、一个硫原子、一个磺酰基、一个亚砜基、一个羰基、一个羟亚胺亚甲基基团、一个二氧杜乐烷基团、一个氮原子（可选择地取代）；或一个（可选择地取代的）亚甲基基团；R1代表一个2、3或4-吡啶基团，可选择地取代为一个C3-6环烷基团、一个C1-4烷基团、一个C1-4烷氧基团、一个苄基或一个卤原子；当Y代表一个键、一个（可选择地取代的）亚甲基基团、一个羟亚胺亚甲基基团、一个二氧杜乐烷基团或一个羰基时，R2代表一个（可选择地）C1-6烷基团；一个C3-6环烷基团、一个C1-4硫代烷基团、一个C1-4烷氧基团、一个C1-2全氟烷基团、一个C1-3卤代烷基团、一个苯硫基团、一个苄基、一个苯环、一个5,6,7,8-四氢萘基环、一个萘基环、一个吡啶基环、一个吡咯基环、一个噻吩基环、一个呋喃基环或一个咪唑基环；当Y代表一个乙烯基团、一个乙炔基团、一个氧原子、一个硫原子、一个磺酰基、一个亚砜基或一个（可选择地取代的）氮原子时，R2代表一个（可选择地取代的）C1-6烷基团，可选择地取代为一个羟基、一个C6,10芳氧基或一个C6,10芳基氨基；一个C3-6环烷基团、一个C1-2全氟烷基团、一个C1-3卤代烷基团、一个苄基、一个苯环、一个5,6,7,8-四氢萘基环、一个萘基环、一个C6,10芳基氨基、一个吡啶基环、一个吡咯基环、一个噻吩基环、一个呋喃基环或一个咪唑基环；R3和R4分别独立地代表一个氢原子、一个C1-6烷基团、一个羟基、一个C1-4烷氧基团或一个卤原子；R5代表一个氢原子、一个C1-6烷基团或一个卤原子；但是如果R3和R4分别代表一个氢原子，则R5不是一个氢原子；该发明还涉及一种药物，包括所述衍生物或其盐作为活性成分，用于预防和/或治疗由GSK3β或GSK3β和cdk5/p25异常活性引起的神经退行性疾病，如阿尔茨海默病。
• 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]Pyrimidin-4-one and 7-Pyrimidinyl-2,3-Dihydroimidazo[1,2-a]Pyrimidin-5(1H)one derivatives
  申请人：SANOFI-SYNTHELABO

  公开号：EP1295884A1

  公开（公告）日：2003-03-26

  The invention relates to a pyrimidone derivative represented by formula (I) or a salt thereof: wherein: X represents two hydrogen atoms, a sulphur atom, an oxygen atom or a C1-2 alkyl group and a hydrogen atom; Y represents a bond, a ethenylene group, a ethynylene group, a an oxygen atom, a sulphur atom, a sulfonyl group, a sulfoxide group, a carbonyl group, a nitrogen atom being optionally substituted by a C1-6 alkyl group, a phenyl or a benzyl group; or a methylene group optionally substituted; R1 represents a pyrimidine group;    when Y represents a bond, a methylene group optionally substituted or a carbonyl group then R2 represents a C1-6 alkyl group optionally substituted by a C6,10 aryloxy or a C6,10 arylamino group ; a C 3-6 cycloalkyl group, a C1-4 alkylthio group, a C1-4 alkoxy group, a C1-2 perhalogenated alkyl group, a C1-3 halogenated alkyl group, a phenylthio group, a benzyl group, a phenyl ring, a 5,6,7,8-tetrahydronaphthyl ring, a naphthyl ring, a pyridyl ring, a pyrrole ring, a thiophene ring, a furan ring or an imidazole ring ;    when Y represents a double bond, a triple bond, an oxygen atom, a sulphur atom, a sulfonyl group, a sulfoxyde group or a nitrogen atom being optionally substituted then R2 represents a C1-6 alkyl group (optionally substituted by a C6,10 aryloxy or a C6,10 arylamino group), a C3-6 cycloalkyl group, a C1-2 perhalogenated alkyl group, a C1-3 halogenated alkyl group, a benzyl group, a phenyl ring, a 5,6,7,8-tetrahydronaphthyl ring, a naphthyl ring, a pyridyl ring, a pyrrole ring, a thiophene ring, a furan ring or an imidazole ring ; R3 and R4 represents each independently a hydrogen atom, C1-6 alkyl group, a hydroxy group, a C1-4 alkoxy group or a halogen atom; R5 represents a hydrogen atom, a C1-6 alkyl group or a halogen atom; The invention relates also to a medicament comprising the said derivative or a salt thereof as an active ingredient which is used for preventive and/or therapeutic treatment of a neurodegenerative disease caused by abnormal activity of GSK3β or GSK3β and cdk5/p25, such as Alzheimer disease.

  本发明涉及一种由式(I)表示的嘧啶酮衍生物或其盐： 其中： X代表两个氢原子、硫原子、氧原子或C1-2烷基和一个氢原子； Y代表一个键、一个乙烯基、一个乙炔基、一个氧原子、一个硫原子、一个磺酰基、一个亚磺酸基、一个羰基、一个氮原子，该氮原子可选择地被C1-6烷基、苯基或苄基取代；或一个可选择地取代的亚甲基基团； R1代表一个嘧啶基团； 当Y代表一个键、一个可选择地取代的亚甲基基团或一个羰基时，R2代表一个C1-6烷基，可选择地被C6,10芳氧基或C6,10芳基氨基基团取代；一个C3-6环烷基、一个C1-4烷基硫基、一个C1-4烷氧基、一个C1-2全卤代烷基、一个C1-3卤代烷基、一个苯硫基、一个苄基、一个苯环、一个5,6,7,8-四氢萘环、一个萘环、一个吡啶环、一个吡咯环、一个噻吩环、一个呋喃环或一个咪唑环； 当Y代表一个双键、一个三键、一个氧原子、一个硫原子、一个磺酰基、一个亚磺酸基或一个可选择地取代的氮原子时，R2代表一个C1-6烷基（可选择地被C6,10芳氧基或C6,10芳基氨基基团取代）、一个C3-6环烷基、一个C1-2全卤代烷基、一个C1-3卤代烷基、一个苄基、一个苯环、一个5,6,7,8-四氢萘环、一个萘环、一个吡啶环、一个吡咯环、一个噻吩环、一个呋喃环或一个咪唑环； R3和R4各自独立地代表一个氢原子、C1-6烷基、一个羟基、一个C1-4烷氧基或一个卤原子； R5代表一个氢原子、一个C1-6烷基或一个卤原子； 本发明还涉及一种药物，该药物包括上述衍生物或其盐作为活性成分，用于预防和/或治疗由GSK3β或GSK3β和cdk5/p25的异常活性引起的神经退行性疾病，例如阿尔茨海默病。
• Substituted (arylalkoxybenzyl)aminopropanamide derivatives and process
  申请人：Farmitalia Carlo Erba S.r.l.

  公开号：US05446066A1

  公开（公告）日：1995-08-29

  The invention provides new compounds of formula (I) ##STR1## wherein, subject to a proviso, n is zero or an integer of 1 to 3; each of R and R.sub.1, which may be the same or different, is hydrogen, halogen, trifluoromethyl or C.sub.1 -C.sub.4 alkoxy; R.sub.2 is hydrogen or C.sub.1 -C.sub.4 alkyl optionally substituted by hydroxy; each of R.sub.3 and R.sub.4 independently is hydrogen or C.sub.1 -C.sub.4 alkyl; or a pharmaceutically acceptable salt thereof; and of formula (IA) ##STR2## wherein R.sub.5 is hydrogen, halogen, trifluoromethyl or C.sub.1 -C.sub.4 alkoxy, or a pharmaceutically acceptable salt thereof, which are active on the central nervous system (CNS) and can be used in therapy as anti-epileptics, anti-Parkinson, neuroprotective, antidepressant, anti-spastic and hypnotic agents.

  本发明提供了新的化合物，其化学式为(I) ##STR1## 在该式中，n为零或1至3的整数，但需满足某种条件；每个R和R.sub.1，可以相同也可以不同，分别为氢、卤素、三氟甲基或C.sub.1-C.sub.4烷氧基；R.sub.2为氢或C.sub.1-C.sub.4烷基，可选择性地被氢氧基取代；每个R.sub.3和R.sub.4独立地为氢或C.sub.1-C.sub.4烷基；或其药学上可接受的盐；以及化学式(IA) ##STR2## 在该式中，R.sub.5为氢、卤素、三氟甲基或C.sub.1-C.sub.4烷氧基，或其药学上可接受的盐，这些化合物在中枢神经系统(CNS)上具有活性，并可用于治疗癫痫、帕金森病、神经保护、抗抑郁、抗痉挛和催眠剂。
• Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1h)one derivatives for neurodegenerative disorders
  申请人：——

  公开号：US20040266793A1

  公开（公告）日：2004-12-30

  The invention relates to a pyrimidone derivative represented by formula (I) or a salt thereof wherein: X represents two hydrogen atoms, a sulphur atom, an oxygen atom or a C 1-2 alkyl group and a hydrogen atom; y represents a bond, an ethenylene group, an ethynylene group, an oxygen atom, a sulphur atom, a sulfonyl group, a sulfoxide group, a carbonyl group, a nitrogen atom being optionally; or a methylene group optionally substituted; R1 represents a pyrimidine group optionally substituted; R2 may represent a C 1-6 alkyl group optionally substituted by a C 6,10 aryloxy or a C 6,10 arylamino group; a C 3-6 cycloalkyl group, a C 1-4 alkylthio group, a C 1-4 alkoxy group, a C 1-2 perhalogenated alkyl group, a C 1-3 halogenated alkyl group, a phenylthio group, a benzyl group, a benzene ring, an indan ring, a 5,6,7,8-tetrahydronaphthalene ring, a naphthalene ring, a pyridine ring, a pyrrole ring, a thiophene ring, a furan ring or an imidazole ring; R3 and R4 represents each independently a hydrogen atom, C 1-6 alkyl group, a hydroxy group, a C 1- 4 alkoxy group or a halogen atom; R5 represents a hydrogen atom, a C 1-6 alkyl group or a halogen atom. The invention relates also to a medicament comprising the said derivative or a salt thereof as an active ingredient which is used for preventive and/or therapeutic treatment of a neurodegenerative disease caused by abnormal activity of GSK3&bgr;3 or GSK3&bgr;3 and cdk5/p25, such as Alzheimer disease. 1

  本发明涉及一种由式（I）表示的嘧啶酮衍生物或其盐，其中：X代表两个氢原子，硫原子，氧原子或C1-2烷基和氢原子；y代表键，乙烯基，乙炔基，氧原子，硫原子，磺酰基，亚磺酸基，羰基，氮原子（可选）或取代的亚甲基基团；R1表示可选取代的嘧啶基团；R2可以代表C1-6烷基，可选地被C6,10芳氧基或C6,10芳基氨基基团取代；C3-6环烷基，C1-4烷基硫基，C1-4烷氧基，C1-2全氟烷基，C1-3卤代烷基，苯硫基，苄基，苯环，茚环，5,6,7,8-四氢萘环，萘环，吡啶环，吡咯环，噻吩环，呋喃环或咪唑环；R3和R4各自独立地表示氢原子，C1-6烷基，羟基，C1-4烷氧基或卤素原子；R5表示氢原子，C1-6烷基或卤素原子。本发明还涉及一种药物，其中包括所述衍生物或其盐作为活性成分，用于预防和/或治疗由GSK3β3或GSK3β3和cdk5/p25的异常活性引起的神经退行性疾病，例如阿尔茨海默病。
• Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives
  申请人：Gallet Thierry

  公开号：US20050049261A1

  公开（公告）日：2005-03-03

  The invention relates to a pyrimidone derivative represented by formula (I) or a salt thereof wherein X represents two hydrogen atoms, a sulfur atom, an oxygen atom or a C 1-2 alkyl group and a hydrogen atom; Y represents a bond, an ethenylene group, an ethynylene group an oxygen atom, a sulfur atom, a sulfonyl group, a sulfoxide group, a carbonyl group, a hydroxyiminomethylene group, a dioxolan group, a nitrogen atom being optionally substituted; or a methylene group optionally substituted; or a methylene group optionally substituted; R1 represents a 2, 3 or 4-pyridine ring optionally substituted; R2 may represent a C 1-6 alkyl group optionally; a C 3-6 cycloalkyl group, a C 1-4 alkythio group, a C 1-4 alkoxy group, a C 1-2 perhalogenated alkyl group, a C 1-3 halogenated alkyl group, a phenylthio group, a benzyl group, a benzene ring, an indan ring, a 5,6,7,8-tetrahydronaphthalene ring, a naphthalene ring, a pyridine ring, a pyrrole ring, a thiophene ring, a furan ring or an imidazole ring; R3 and R4 represent, each independently, a hydrogen atom, a C 1-6 alkyl group, a hydroxy group, a C 1-4 alkoxy group or a halogen atom; R5 represents a hydrogen atom, a C 1-6 alkyl group or a halogen atom; with the proviso that when R3 and R4 represent each a hydrogen atom then R5 is not a hydrogen atom. The invention relates also to a medicament comprising the said derivative or a salt thereof as an active ingredient which is used for preventive and/or therapeutic treatment of a neurodegenerative disease caused by abnormal activity of GSK3β or GSK3β, and cdk5/p25, such as Alzheimer disease.

  本发明涉及一种由式(I)表示的嘧啶酮衍生物或其盐，其中X代表两个氢原子，硫原子，氧原子或C1-2烷基基团和一个氢原子；Y代表键，乙烯基团，乙炔基团，氧原子，硫原子，磺酰基，亚磺酸基，羰基，羟亚胺亚甲基基团，二氧杂环己烷基团，氮原子可选地取代；或取代的亚甲基基团；R1表示可选地取代的2、3或4-吡啶环；R2可以表示可选的C1-6烷基基团；C3-6环烷基团，C1-4烷硫基团，C1-4烷氧基团，C1-2全氟烷基团，C1-3卤代烷基团，苯硫基团，苯甲基基团，苯环，茚环，5,6,7,8-四氢萘环，萘环，吡啶环，吡咯环，噻吩环，呋喃环或咪唑环；R3和R4分别表示氢原子，C1-6烷基基团，羟基，C1-4烷氧基团或卤素原子；R5表示氢原子，C1-6烷基基团或卤素原子；但是当R3和R4分别表示氢原子时，R5不是氢原子。本发明还涉及一种药物，其包含所述衍生物或其盐作为活性成分，用于预防和/或治疗由GSK3β或GSK3β和cdk5/p25的异常活动引起的神经退行性疾病，如阿尔茨海默病。