4-(1,1-Difluoropropan-2-yl)benzenesulfonic acid | 1263283-07-3

• 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: 4-(1,1-Difluoropropan-2-yl)benzenesulfonic acid
• CAS: 1263283-07-3
• 化学式: C₉H₁₀F₂O₃S
• 分子量: 236.239
• InChiKey: UYOIHDXOQCJAHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(1,1-Difluoropropan-2-yl)benzenesulfonic acid 生成 4-(1,1-二氟异丙基)苯-1-磺酰氯
  参考文献：
  名称：

  [EN] AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR
  [FR] COMPOSES AMINOETHYLAROMATIQUES PERMETTANT DE TRAITER DES TROUBLES REPONDANT A UNE MODULATION DU RECEPTEUR D3 DE LA DOPAMINE

  摘要：

  本发明涉及公式（I）的芳香族化合物，其中Ar为苯基或芳香族5-或6-成员C-键合杂环基，其中Ar可能携带1个基团Ra，Ar也可能携带1个或2个基团Rb；X为N或CH；E为CR6R7或NR3；R1为C1-C4-烷基，C3-C4-环烷基，C3-C4-环烷基甲基，C3-C4-烯基，氟代的Cl-C4-烷基，氟代的C3-C4-环烷基，氟代的C3-C4-环烷基甲基，氟代的C3-C4-烯基，甲酰基或C1-C3-烷基羰基；R1a为H，C1-C4-烷基，C3-C4-环烷基，C3-C4-环烷基甲基，C3-C4-烯基，氟代的C1-C4-烷基，氟代的C3-C4-环烷基，氟代的C3-C4-环烷基甲基，氟代的C3-C4-烯基，或R1a和R2一起为（CH2）n，其中n为2、3或4，或R1a和R2a一起为（CH2）n，其中n为2、3或4；R2和R2a彼此独立为H，C1-C4-烷基或氟代的C1-C4-烷基，或R2a和R2一起为（CH2）m，其中m为1、2、3、4或5；R3为H或C1-C4-烷基；R6、R7彼此独立地选自H、氟、C1-C4-烷基和氟代的C1-C4-烷基，或一起形成一个(CH2)p的基团，其中p为2、3、4或5；以及其生理耐受的酸盐。该发明还涉及使用公式（I）的化合物或其药学上可接受的盐来制备用于治疗可用多巴胺D3受体配体治疗的医疗疾病的药物组合物。

  公开号：

  WO2006040179A1
• 作为产物：
  描述：

  (2,2-二氟-1-甲基乙基)苯 生成 4-(1,1-Difluoropropan-2-yl)benzenesulfonic acid
  参考文献：
  名称：

  [EN] AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR
  [FR] COMPOSES AMINOETHYLAROMATIQUES PERMETTANT DE TRAITER DES TROUBLES REPONDANT A UNE MODULATION DU RECEPTEUR D3 DE LA DOPAMINE

  摘要：

  本发明涉及公式（I）的芳香族化合物，其中Ar为苯基或芳香族5-或6-成员C-键合杂环基，其中Ar可能携带1个基团Ra，Ar也可能携带1个或2个基团Rb；X为N或CH；E为CR6R7或NR3；R1为C1-C4-烷基，C3-C4-环烷基，C3-C4-环烷基甲基，C3-C4-烯基，氟代的Cl-C4-烷基，氟代的C3-C4-环烷基，氟代的C3-C4-环烷基甲基，氟代的C3-C4-烯基，甲酰基或C1-C3-烷基羰基；R1a为H，C1-C4-烷基，C3-C4-环烷基，C3-C4-环烷基甲基，C3-C4-烯基，氟代的C1-C4-烷基，氟代的C3-C4-环烷基，氟代的C3-C4-环烷基甲基，氟代的C3-C4-烯基，或R1a和R2一起为（CH2）n，其中n为2、3或4，或R1a和R2a一起为（CH2）n，其中n为2、3或4；R2和R2a彼此独立为H，C1-C4-烷基或氟代的C1-C4-烷基，或R2a和R2一起为（CH2）m，其中m为1、2、3、4或5；R3为H或C1-C4-烷基；R6、R7彼此独立地选自H、氟、C1-C4-烷基和氟代的C1-C4-烷基，或一起形成一个(CH2)p的基团，其中p为2、3、4或5；以及其生理耐受的酸盐。该发明还涉及使用公式（I）的化合物或其药学上可接受的盐来制备用于治疗可用多巴胺D3受体配体治疗的医疗疾病的药物组合物。

  公开号：

  WO2006040179A1

文献信息

• [EN] AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR<br/>[FR] COMPOSES AMINOETHYLAROMATIQUES PERMETTANT DE TRAITER DES TROUBLES REPONDANT A UNE MODULATION DU RECEPTEUR D3 DE LA DOPAMINE
  申请人：ABBOTT GMBH & CO KG

  公开号：WO2006040179A1

  公开（公告）日：2006-04-20

  The present invention relates to aromatic compounds of the formula (I) wherein Ar is phenyl or an aromatic 5- or 6-membered C-bound heteroaromatic radical, wherein Ar may carry 1 radical Ra and wherein Ar may also carry 1 or 2 radicals Rb; X is N or CH; E is CR6R7 or NR3; R1 is C1-C4-alkyl, C3-C4-cycloalkyl, C3-C4-cycloalkylmethyl, C3-C4-alkenyl, fluorinated Cl-C4­-alkyl, fluorinated C3-C4-cycloalkyl, fluorinated C3-C4-cycloalkylmethyl, fluorinated C3-C4­-alkenyl, formyl or C1-C3-alkylcarbonyl; R1a is H, C1-C4-alkyl, C3-C4-cycloalkyl, C3-C4-cycloalkylmethyl, C3-C4-alkenyl, fluorinated C1-­C4-alkyl, fluorinated C3-C4-cycloalkyl, fluorinated C3-C4-cycloalkylmethyl, fluorinated C3­-C4-alkenyl, or R1a and R2 together are (CH2)n with n being 2, 3 or 4, or R1a and R2a together are (CH2)n with n being 2, 3 or 4; R2 and R2a are independently of each other H, C1-C4-alkyl or fluorinated C1-C4-alkyl or R2a and R2 together are (CH2)m with m being 1, 2, 3, 4 or 5; R3 is H or C1-C4-alkyl; R6, R7 independently of each other are selected from H, fluorine, C1-C4-alkyl and fluorinated C1-C4-alkyl or together form a moiety (CH2)p with p being 2, 3, 4 or 5; and the physiologically tolerated acid addition salts thereof. The invention also relates to the use of a compound of the formula (I) or a pharmaceutically acceptable salt thereof for preparing a pharmaceutical composition for the treatment of a medical disorder susceptible to treatment with a dopamine D3 receptor ligand.

  本发明涉及公式（I）的芳香族化合物，其中Ar为苯基或芳香族5-或6-成员C-键合杂环基，其中Ar可能携带1个基团Ra，Ar也可能携带1个或2个基团Rb；X为N或CH；E为CR6R7或NR3；R1为C1-C4-烷基，C3-C4-环烷基，C3-C4-环烷基甲基，C3-C4-烯基，氟代的Cl-C4-烷基，氟代的C3-C4-环烷基，氟代的C3-C4-环烷基甲基，氟代的C3-C4-烯基，甲酰基或C1-C3-烷基羰基；R1a为H，C1-C4-烷基，C3-C4-环烷基，C3-C4-环烷基甲基，C3-C4-烯基，氟代的C1-C4-烷基，氟代的C3-C4-环烷基，氟代的C3-C4-环烷基甲基，氟代的C3-C4-烯基，或R1a和R2一起为（CH2）n，其中n为2、3或4，或R1a和R2a一起为（CH2）n，其中n为2、3或4；R2和R2a彼此独立为H，C1-C4-烷基或氟代的C1-C4-烷基，或R2a和R2一起为（CH2）m，其中m为1、2、3、4或5；R3为H或C1-C4-烷基；R6、R7彼此独立地选自H、氟、C1-C4-烷基和氟代的C1-C4-烷基，或一起形成一个(CH2)p的基团，其中p为2、3、4或5；以及其生理耐受的酸盐。该发明还涉及使用公式（I）的化合物或其药学上可接受的盐来制备用于治疗可用多巴胺D3受体配体治疗的医疗疾病的药物组合物。
• [EN] HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR<br/>[FR] COMPOSES HETEROCYCLIQUES CONVENANT POUR TRAITER DES TROUBLES SENSIBLES A UNE MODULATION DU RECEPTEUR D3 DE LA DOPAMINE
  申请人：ABBOTT GMBH & CO KG

  公开号：WO2006040182A1

  公开（公告）日：2006-04-20

  The invention relates to compounds of the formula (I) wherein n is 0, 1 or 2; G is CH2 or CHR3; R1 is H, C,-C6-alkyl, C,-C6-alkyl substituted by C3-C6-cycloalkyl, Cl-C6-hydroxyalkyl, fluorinated C,-C6-alkyl, C3-C6-cycloalkyl, fluorinated C3-C6-cycloalkyl, C3-C6­ alkenyl, fluorinated C3-C6-alkenyl, formyl, acetyl or propionyl; R2, R3 and R4 are, independently of each other, H, methyl, fluoromethyl, difluoromethyl, or trifluoromethyl; A is phenylene, pyridylene, pyrimidylene, pyrazinylene, pyridazinylene or thiophenylene, which can be substituted by one ore more substituents selected from halogen, methyl, methoxy and CF3; E is NR5 or CH2, wherein R5 is H or C1 -C3-alkyl; Ar is a cyclic radical selected from the group consisting of phenyl, a 5- or 6- ­membered heteroaromatic radical comprising as ring members 1, 2 or 3 heteroatoms selected from N, O and S and a phenyl ring fused to a saturated or unsaturated 5- or 6-membered carbocyclic or heterocyclic ring, where the heterocyclic ring comprises as ring members 1, 2 or 3 heteroatoms selected from N, O and S and/or 1, 2 or 3 heteroatom-containing groups each independently selected from NR8, where R8 is H, C1-C4-alkyl, fluorinated C1-C4-alkyl, C1-C4­alkylcarbonyl or fluorinated C1-C4-alkylcarbonyl, and where the cyclic radical Ar may carry 1, 2 or 3 substituents Ra, wherein the variable Ra has the meanings given in the claims and in the description; and physiologically tolerated acid addition salts thereof. The invention also relates to the use of a compound of the formula I or a pharmaceutically acceptable salt thereof for preparing a pharmaceutical composition for the treatment of a medical disorder susceptible to treatment with a dopamine D3 receptor ligand.

  该发明涉及以下式(I)的化合物，其中n为0、1或2；G为CH2或CHR3；R1为H、C1-C6烷基、被C3-C6环烷基取代的C1-C6烷基、Cl-C6羟基烷基、氟化的C1-C6烷基、C3-C6环烷基、氟化的C3-C6环烷基、C3-C6烯基、氟化的C3-C6烯基、甲酰基、乙酰基或丙酰基；R2、R3和R4独立地为H、甲基、氟甲基、二氟甲基或三氟甲基；A为苯基、吡啶基、嘧啶基、吡嗪基、吡啶嗪基或噻吩基，可以被卤素、甲基、甲氧基和CF3等一个或多个取代基取代；E为NR5或CH2，其中R5为H或C1-C3烷基；Ar为从苯基、含有1、2或3个异原子N、O和S的5-或6-元杂环芳基、以及与饱和或不饱和的5-或6-元碳环或杂环融合的苯基环组成的环状基，其中杂环环包含1、2或3个异原子N、O和S和/或1、2或3个异原子含氮基团，每个基团独立地选择自NR8，其中R8为H、C1-C4烷基、氟化的C1-C4烷基、C1-C4烷基酰基或氟化的C1-C4烷基酰基，环状基Ar可以携带1、2或3个取代基Ra，其中变量Ra具有权利要求和描述中给出的含义；以及其生理上可耐受的酸盐。该发明还涉及使用式I的化合物或其药学上可接受的盐制备用于治疗易受多巴胺D3受体配体治疗的医疗紊乱的药物组合物。
• 6-Amino(Aza)Indane Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor
  申请人：Drescher Karla

  公开号：US20080318996A1

  公开（公告）日：2008-12-25

  The present invention relates to 6-amino(aza)indane compound of the formula (I) Wherein Ar is phenyl or an aromatic 5- or 6-membered C-bound heteroaromatic radical, wherein Ar may carry 1 radical R 6 and wherein Ar may also carry I or 2 radicals R b ; X is N or CH; E is CR 6 R 7 or NR 3 ; R 1 is C 1 -C 4 -alkyl, C 3 -C4-cycloalkyl, C 3 -C 4 -cycloalkylmethyl, C 3 -C 4 -alkenyl, fluorinated C 1 -C 4 -alkyl, fluorinated C 3 -C 4 -cycloalkyl, fluorinated C 3 -C 4 -cycloalkylmethyl, fluorinated C 3 -C 4 -alkenyl, formyl or C 1 -C 3 -alkylcarbonyl; R 1a is H or R 1a and R 2 or R 1a and R 2a together are (CH 2 ) n with n being 1, 2, 3 or 4; R 2 and R 2a each independently are H, CH 3 , CH 2 F, CHF 2 or CF 3 ; R 3 is H or C,-C4-alkyl; and the physiologically tolerated acid addition salts of these compounds. The invention also relates to pharmaceutical compositions comprising at least one compound of the formula (I) or a pharmaceutically acceptable salt thereof and to a method for treating a medical disorder susceptible to treatment with a dopamine D3 receptor ligand, said method comprising administering an effective amount of at least one compound of the formula (I) or a pharmaceutically acceptable salt thereof.

  本发明涉及式（I）的6-氨基（氮）吲哚化合物，其中Ar是苯或芳香5-或6-成员C-连接的杂环芳基，其中Ar可以携带1个基团R6，Ar还可以携带1或2个基团Rb；X是N或CH；E是CR6R7或NR3；R1是C1-C4烷基、C3-C4环烷基、C3-C4环烷基甲基、C3-C4烯基、氟代C1-C4烷基、氟代C3-C4环烷基、氟代C3-C4环烷基甲基、氟代C3-C4烯基、甲酰基或C1-C3烷基羰基；R1a是H或R1a和R2或R1a和R2a一起是（CH2）n，其中n为1、2、3或4；R2和R2a各自独立地是H、CH3、CH2F、CHF2或CF3；R3是H或C1-C4烷基；以及这些化合物的生理上耐受的酸加成盐。该发明还涉及包含式（I）的至少一种化合物或其药学上可接受的盐的制药组合物，以及一种用于治疗对多巴胺D3受体配体敏感的医学疾病的方法，该方法包括给予至少一种式（I）的化合物或其药学上可接受的盐的有效量。
• Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor
  申请人：Drescher Karla

  公开号：US20080045493A1

  公开（公告）日：2008-02-21

  The invention relates to compounds of the formula (I) wherein n is 0, 1 or 2; G is CH 2 or CHR 3 ; R 1 is H, C 1 -C 6 -alkyl, C 1 -C 6 -alkyl substituted by C 3 -C 6 -cycloalkyl, C 1 -C 6 -hydroxyalkyl, fluorinated C 1 -C 6 -alkyl, C 3 -C 6 -cycloalkyl, fluorinated C 3 -C 6 -cycloalkyl, C 3 -C 6 -alkenyl, fluorinated C 3 -C 6 -alkenyl, formyl, acetyl or propionyl; R 2 , R 3 and R 4 are, independently of each other, H, methyl, fluoromethyl, difluoromethyl, or trifluoromethyl; A is phenylene, pyridylene, pyrimidylene, pyrazinylene, pyridazinylene or thiophenylene, which can be substituted by one or more substituents selected from halogen, methyl, methoxy and CF 3 ; E is NR 5 or CH 2 , wherein R 5 is H or C 1 -C 3 -alkyl; Ar is a cyclic radical selected from the group consisting of phenyl, a 5- or 6-membered heteroaromatic radical comprising as ring members 1, 2 or 3 heteroatoms selected from N, O and S and a phenyl ring fused to a saturated or unsaturated 5- or 6-membered carbocyclic or heterocyclic ring, where the heterocyclic ring comprises as ring members 1, 2 or 3 heteroatoms selected from N, O and S and/or 1, 2 or 3 heteroatom-containing groups each independently selected from NR 8 , where R 8 is H, C 1 -C 4 -alkyl, fluorinated C 1 -C 4 -alkyl, C 1 -C 4 -alkylcarbonyl or fluorinated C 1 -C 4 -alkylcarbonyl, and where the cyclic radical Ar may carry 1, 2 or 3 substituents R a , wherein the variable R a has the meanings given in the claims and in the description; and physiologically tolerated acid addition salts thereof. The invention also relates to the use of a compound of the formula I or a pharmaceutically acceptable salt thereof for preparing a pharmaceutical composition for the treatment of a medical disorder susceptible to treatment with a dopamine D3 receptor ligand.

  本发明涉及式(I)的化合物，其中n为0、1或2；G为CH2或CHR3；R1为H、C1-C6烷基、C1-C6烷基取代的C3-C6环烷基、C1-C6羟基烷基、氟代C1-C6烷基、C3-C6环烷基、氟代C3-C6环烷基、C3-C6烯基、氟代C3-C6烯基、甲酰基、乙酰基或丙酰基；R2、R3和R4独立地为H、甲基、氟甲基、二氟甲基或三氟甲基；A为苯基、吡啶基、嘧啶基、吡嗪基、吡啶嗪基或噻吩基，可以被一个或多个卤素、甲基、甲氧基和CF3等取代基所取代；E为NR5或CH2，其中R5为H或C1-C3烷基；Ar为从苯基、一个5-或6-成员的杂环芳基基团中选择的循环基团，该杂环芳基基团的环成员包括1、2或3个从N、O和S选择的杂原子和与饱和或不饱和的5-或6-成员碳环或杂环芳基团融合的苯基环，其中所述杂环芳基团包括1、2或3个从N、O和S选择的杂原子和/或1、2或3个从NR8选择的含杂原子基团，其中R8为H、C1-C4烷基、氟代C1-C4烷基、C1-C4烷基羰基或氟代C1-C4烷基羰基，且所述循环基团Ar可以携带1、2或3个取代基Ra，其中变量Ra的含义如权利要求和说明书中所给出；以及其生理耐受的酸加合盐。本发明还涉及使用式I的化合物或其药学上可接受的盐制备用于治疗易于用多巴胺D3受体配体治疗的医疗疾病的药物组合物的用途。
• Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the Dopamine D3 receptor
  申请人：Drescher Karla

  公开号：US20090012074A1

  公开（公告）日：2009-01-08

  The present invention relates to aromatic compounds of the formula I wherein Ar is phenyl or an aromatic 5- or 6-membered C-bound heteroaromatic radical, wherein Ar may carry 1 radical R a and wherein Ar may also carry 1 or 2 radicals R b ; X is N or CH; Y is O, S, —CH═N—, —CH═CH— or —N═CH—; A is CH 2 , O or S; E is CR 6 R 7 or NR 3 ; R 1 is C 1 -C 4 -alkyl, C 3 -C 4 -cycloalkyl, C 3 -C 4 -cycloalkylmethyl, C 3 -C 4 -alkenyl, fluorinated C 1 -C 4 -alkyl, fluorinated C 3 -C 4 -cycloalkyl, fluorinated C 3 -C 4 -cycloalkylmethyl, fluorinated C 3 -C 4 -alkenyl, formyl or C 1 -C 3 -alkylcarbonyl; R 1a is H, C 2 -C 4 -alkyl, C 3 -C 4 -cycloalkyl, C 3 -C 4 -alkenyl, fluorinated C 1 -C 4 -alkyl, fluorinated C 3 -C 4 -cycloalkyl, or R 1a and R 2 together are (CH 2 ) n with n being 2 or 3, or R 1a and R 2a together are (CH 2 ) n with n being 2 or 3; R 2 and R 2a are independently of each other H, CH 3 , CH 2 F, CHF 2 or CF 3 ; R 3 is H or C 1 -C 4 -alkyl; R 6 , R 7 independently of each other are selected from H, C 1 -C 2 -alkyl and fluorinated C 1 -C 2 -alkyl; and the physiologically tolerated acid addition salts thereof. The invention also relates to the use of a compound of the formula I or a pharmaceutically acceptable salt thereof for preparing a pharmaceutical composition for the treatment of a medical disorder susceptible to treatment with a dopamine D3 receptor ligand.

  本发明涉及公式I的芳香族化合物，其中Ar是苯基或含有5或6个成员的芳香族C-连接杂环基团，其中Ar可以携带1个基团Ra，也可以携带1或2个基团Rb；X是N或CH；Y是O，S，-CH═N-，-CH═CH-或-N═CH-；A是CH2，O或S；E是CR6R7或NR3；R1是C1-C4烷基，C3-C4环烷基，C3-C4环烷基甲基，C3-C4烯基，氟代C1-C4烷基，氟代C3-C4环烷基，氟代C3-C4环烷基甲基，氟代C3-C4烯基，甲酰基或C1-C3烷基羰基；R1a是H，C2-C4烷基，C3-C4环烷基，C3-C4烯基，氟代C1-C4烷基，氟代C3-C4环烷基，或R1a和R2一起是(CH2)n，其中n为2或3，或R1a和R2a一起是(CH2)n，其中n为2或3；R2和R2a相互独立地是H，CH3，CH2F，CHF2或CF3；R3是H或C1-C4烷基；R6，R7相互独立地选择自H，C1-C2烷基和氟代C1-C2烷基；以及其生理耐受酸盐。本发明还涉及使用公式I的化合物或其药学上可接受的盐制备用于治疗可通过多巴胺D3受体配体治疗的医疗障碍的制药组合物的用途。