5-(4-fluoro-benzenesulfonyl)-6-methoxy-2-methyl-2,3-dihydro-1H-isoindole | 630407-41-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 5-(4-fluoro-benzenesulfonyl)-6-methoxy-2-methyl-2,3-dihydro-1H-isoindole
• 英文别名: 5-(4-Fluorophenyl)sulfonyl-6-methoxy-2-methyl-1,3-dihydroisoindole
• CAS: 630407-41-9
• 化学式: C₁₆H₁₆FNO₃S
• 分子量: 321.372
• InChiKey: CZJQDASXDUEBEV-UHFFFAOYSA-N

物化性质

• 沸点：
  465.0±45.0 °C(Predicted)
• 密度：
  1.305±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(4-fluoro-benzenesulfonyl)-6-methoxy-2-methyl-2,3-dihydro-1H-isoindole 生成
  参考文献：
  名称：

  [EN] AROMATIC SULFONES AND THEIR MEDICAL USE
  [FR] COMPOSES

  摘要：

  公开号：

  WO2003099786A3
• 作为产物：
  描述：

  6-Methoxy-2-methyl-2,3-dihydro-1H-isoindole-5-sulfonyl fluoride 、 4-氟苯基溴化镁 以 四氢呋喃 为溶剂， 生成 5-(4-fluoro-benzenesulfonyl)-6-methoxy-2-methyl-2,3-dihydro-1H-isoindole
  参考文献：
  名称：

  [EN] AROMATIC SULFONES AND THEIR MEDICAL USE
  [FR] COMPOSES

  摘要：

  公开号：

  WO2003099786A3

文献信息

• Compounds
  申请人：Forbes Thomson Ian

  公开号：US20050261279A1

  公开（公告）日：2005-11-24

  The invention provides compounds of formula (I): wherein A and B represent the groups —(CH 2 ) m — and —(CH 2 ) n — respectively; R 1 represents hydrogen or C 1-6 alkyl; R 2 represents hydrogen, halogen, hydroxy, cyano, nitro, hydroxy C 1-6 alkyl, trifluoromethyl, trifluoromethoxy, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 fluoroalkoxy, —(CH 2 ) p C 3-6 cycloalkyl, —(CH 2 ) p OC 3-6 cycloalkyl, —COC 1-6 alkyl, —SO 2 C 1-6 alkyl, —SOC 1-6 alkyl, —S—C 1-6 alkyl, —CO 2 C 1-6 alkyl, —CO 2 NR 5 R 6 , —SO 2 NR 5 R 6 , —(CH 2 ) p NR 5 R 6 , —(CF) p NR 5 COR 6 , optionally substituted aryl ring, optionally substituted heteroaryl ring or optionally substituted heterocyclyl ring; R 3 represents optionally substituted aryl ring or optionally substituted heteroaryl ring; R 4 represents hydrogen, hydroxy, C 1-6 alkyl, C 1-6 alkoxy, trifluoromethyl, trifluoromethoxy, halogen, —OSO 2 CF 3 , —(CH 2 ) p C 3-6 cycloalkyl, —(CH 2 ) q OC 1-6 alkyl or —(CH 2 ) p OC 3-6 cycloalkyl; R 5 and R 6 each independently represent hydrogen, C 1-6 alkyl or, together with the nitrogen or other atoms to which they are attached, form an azacycloalkyl ring or an oxo-substituted azacycloalkyl ring; Z represents —(CH 2 ) r X— wherein the —(CH 2 ) r — group is attached to R 3 , or —X(CH 2 ) r — wherein X is attached to R 3 , and wherein any of the —CH 2 — groups may be optionally substituted by one or more C 1-6 alkyl groups; X represents oxygen, —NR 7 or —CH 2 — wherein the —CH 2 — group may be optionally substituted by one or more C 1-6 alkyl groups; R 7 represents hydrogen or C 1-6 alkyl; m and n independently represent an integer selected from 1 and 2; p independently represents an integer selected from 0, 1, 2 and 3; q independently represents an integer selected from 1, 2 and 3; r independently represents an integer selected from 0, 1, and 2; or a pharmaceutically acceptable salt or solvate thereof. The compounds are useful in therapy, in particular as antipsychotic agents.

  本发明提供了式（I）的化合物： 其中，A和B分别代表基团—（CH2）m—和—（CH2）n—；R1代表氢或C1-6烷基；R2代表氢、卤素、羟基、氰基、硝基、羟基C1-6烷基、三氟甲基、三氟甲氧基、C1-6烷基、C1-6烷氧基、C1-6氟烷氧基、—（CH2）pC3-6环烷基、—（CH2）pOC3-6环烷基、—COC1-6烷基、—SO2C1-6烷基、—SOC1-6烷基、—S—C1-6烷基、—CO2C1-6烷基、—CO2NR5R6、—SO2NR5R6、—（CH2）pNR5R6、—（CF）pNR5COR6、可选地取代的芳环、可选地取代的杂芳环或可选地取代的杂环基；R3代表可选地取代的芳环或可选地取代的杂芳环；R4代表氢、羟基、C1-6烷基、C1-6烷氧基、三氟甲基、三氟甲氧基、卤素、—OSO2CF3、—（CH2）pC3-6环烷基、—（CH2）qOC1-6烷基或—（CH2）pOC3-6环烷基；R5和R6各自独立地代表氢、C1-6烷基或与它们所连接的氮或其他原子一起形成氮杂环烷基或氧代取代的氮杂环烷基；Z代表—（CH2）rX—，其中—（CH2）r—基团连接到R3，或—X（CH2）r—，其中X连接到R3，其中任何一个—CH2—基团可以可选地被一个或多个C1-6烷基基团取代；X代表氧、—NR7或—CH2—，其中—CH2—基团可以可选地被一个或多个C1-6烷基基团取代；R7代表氢或C1-6烷基；m和n独立地代表选自1和2的整数；p独立地代表选自0、1、2和3的整数；q独立地代表选自1、2和3的整数；r独立地代表选自0、1和2的整数；或其药学上可接受的盐或溶剂。这些化合物在治疗中有用，特别是作为抗精神病药物。
• AROMATIC SULFONES AND THEIR MEDICAL USE
  申请人：Forbes Ian Thomson

  公开号：US20080269197A1

  公开（公告）日：2008-10-30

  The invention provides compounds of formula (I): wherein A and B represent the groups —(CH 2 ) m — and —(CH 2 ) n — respectively; R 1 represents hydrogen or C 1-6 alkyl; R 2 represents hydrogen, halogen, hydroxy, cyano, nitro, hydroxy C 1-6 alkyl, trifluoromethyl, trifluoromethoxy, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 fluoroalkoxy, —(CH 2 ) p C 3-6 cycloalkyl, —(CH 2 ) p OC 3-6 cycloalkyl, —COC 1-6 alkyl, —SO 2 C 1-6 alkyl, —SOC 1-6 alkyl, —S—C 1-6 alkyl, —CO 2 C 1-6 alkyl, —CO 2 NR 5 R 6 , —SO 2 NR 5 R 6 , —(CH 2 ) p NR 5 R 6 , —(CH 2 ) p NR 5 COR 6 , optionally substituted aryl ring, optionally substituted heteroaryl ring or optionally substituted heterocyclyl ring; R 3 represents optionally substituted aryl ring or optionally substituted heteroaryl ring; R 4 represents hydrogen, hydroxy, C 1-6 alkyl, C 1-6 alkoxy, trifluoromethyl, trifluoromethoxy, halogen, —OSO 2 CF 3 , —(CH 2 ) p C 3-6 cycloalkyl, —(CH 2 ) q OC 1-6 alkyl or —(CH 2 ) p OC 3-6 cycloalkyl; R 5 and R 6 each independently represent hydrogen, C 1-6 alkyl or, together with the nitrogen or other atoms to which they are attached, form an azacycloalkyl ring or an oxo-substituted azacycloalkyl ring; Z represents —(CH 2 ) r X— wherein the —(CH 2 ) r — group is attached to R 3 , or —X(CH 2 ) r — wherein X is attached to R 3 , and wherein any of the —CH 2 — groups may be optionally substituted by one or more C 1-6 alkyl groups; X represents oxygen, —NR 7 or —CH 2 — wherein the —CH 2 — group may be optionally substituted by one or more C 1-6 alkyl groups; R 7 represents hydrogen or C 1-6 alkyl; m and n independently represent an integer selected from 1 and 2; p independently represents an integer selected from 0, 1, 2 and 3; q independently represents an integer selected from 1, 2 and 3; r independently represents an integer selected from 0, 1, and 2; or a pharmaceutically acceptable salt or solvate thereof. The compounds are useful in therapy, in particular as antipsychotic agents.

  本发明提供了式（I）的化合物：其中A和B分别代表基团-（CH2）m-和-（CH2）n-；R1代表氢或C1-6烷基；R2代表氢、卤素、羟基、氰基、硝基、羟基C1-6烷基、三氟甲基、三氟甲氧基、C1-6烷基、C1-6烷氧基、C1-6氟烷氧基、-（CH2）pC3-6环烷基、-（CH2）pOC3-6环烷基、-COC1-6烷基、-SO2C1-6烷基、-SOC1-6烷基、-S-C1-6烷基、-CO2C1-6烷基、-CO2NR5R6、-SO2NR5R6、-（CH2）pNR5R6、-（CH2）pNR5COR6、可选择取代的芳环、可选择取代的杂芳环或可选择取代的杂环烷基；R3代表可选择取代的芳环或可选择取代的杂芳环；R4代表氢、羟基、C1-6烷基、C1-6烷氧基、三氟甲基、三氟甲氧基、卤素、-OSO2CF3、-（CH2）pC3-6环烷基、-（CH2）qOC1-6烷基或-（CH2）pOC3-6环烷基；R5和R6各自独立地代表氢、C1-6烷基或与它们所附着的氮或其他原子一起形成一个氮杂环烷基或氧代取代的氮杂环烷基；Z代表-（CH2）rX-，其中-（CH2）r-基团附着在R3上，或-X（CH2）r-，其中X附着在R3上，并且任何-CH2-基团都可以选择地被一个或多个C1-6烷基取代；X代表氧、-NR7或-CH2-，其中-CH2-基团可以选择地被一个或多个C1-6烷基取代；R7代表氢或C1-6烷基；m和n分别独立地代表选自1和2的整数；p独立地代表选自0、1、2和3的整数；q独立地代表选自1、2和3的整数；r独立地代表选自0、1和2的整数；或其药学上可接受的盐或溶剂。这些化合物在治疗中有用，特别是作为抗精神病药物。
• US7504392B2
  申请人：——

  公开号：US7504392B2

  公开（公告）日：2009-03-17
• [EN] AROMATIC SULFONES AND THEIR MEDICAL USE<br/>[FR] COMPOSES
  申请人：——

  公开号：WO2003099786A3

  公开（公告）日：2004-09-02