4-benzyloxy-3-(N-methylsulphonylamino)-phenyl acetate | 177781-91-8

• 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-benzyloxy-3-(N-methylsulphonylamino)-phenyl acetate
• 英文别名: 4-benzyloxy-3-(methanesulfonylamino)phenyl acetate；[3-(methanesulfonamido)-4-phenylmethoxyphenyl] acetate
• CAS: 177781-91-8
• 化学式: C₁₆H₁₇NO₅S
• 分子量: 335.381
• InChiKey: NCKBPYGKLMQDPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  90.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-benzyloxy-3-(N-methylsulphonylamino)-phenyl acetate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 N-(2-benzyloxy-5-hydroxyphenyl)methanesulfonamide
  参考文献：
  名称：

  Aminoalcohol derivatives and their use as beta 3 adrenergic agonists

  摘要：

  该发明涉及由以下式表示的新氨基醇衍生物或其盐：1其中每个符号如规范中定义或其盐，具有肠道选择性交感兴奋剂、抗溃疡、抗胰腺炎、脂解作用、抗尿失禁和抗排尿活性，以及其制备方法、包含相同的药物组合物，以及用于预防和/或治疗规范中指示的疾病的方法，适用于人类或动物。

  公开号：

  US20030181726A1
• 作为产物：
  描述：

  甲基磺酰氯 、 3-氨基-4-(苄氧基)苯基乙酸酯 以 吡啶 、 水 为溶剂， 生成 4-benzyloxy-3-(N-methylsulphonylamino)-phenyl acetate
  参考文献：
  名称：

  Aminoalcohol derivatives and their use as beta 3 adrenergic agonists

  摘要：

  该发明涉及由以下式表示的新氨基醇衍生物或其盐：1其中每个符号如规范中定义或其盐，具有肠道选择性交感兴奋剂、抗溃疡、抗胰腺炎、脂解作用、抗尿失禁和抗排尿活性，以及其制备方法、包含相同的药物组合物，以及用于预防和/或治疗规范中指示的疾病的方法，适用于人类或动物。

  公开号：

  US20030181726A1

文献信息

• Propanolamine derivatives
  申请人：Fujisawa Pharmaceutical Co. Ltd.

  公开号：US20020120148A1

  公开（公告）日：2002-08-29

  This invention relates to new propanolamine derivatives or salts thereof represented by the following formula [I]: 1 Wherein each symbol is as defined in the specification or salts thereof which have gut selective sympathomimetic, anti-ulcerous, anti-pancreatitis, lipolytic, anti-urinary incontinence and anti-pollakiuria activities, to processes for the preparation thereof, to a pharmaceutical composition comprising the same and to a method for the prevention and/or treatment diseases indicated in the specification to a human being or an animal.

  这项发明涉及新的丙醇胺衍生物或其盐，其化学式如下所示：1其中每个符号如规范中定义，或具有选择性肠道交感神经兴奋作用、抗溃疡、抗胰腺炎、脂解作用、抗尿失禁和抗尿频活性的盐，以及其制备方法、包含相同的药物组合物以及用于预防和/或治疗规范中指示的疾病的方法，适用于人类或动物。
• Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same
  申请人：——

  公开号：US20040053916A1

  公开（公告）日：2004-03-18

  The present invention relates to the compounds of formula (I): 1 in which A is a group of formula (a) or (b) 2 in which R represents a hydrogen or halogen atom, an —S(O) z (C 1 -C 4 )alkyl group, an —NHSO 2 (C 1 -C 4 )alkyl group, an —SO 2 NH(C 1 -C 4 )alkyl group, an —NHSO 2 phenyl-(C 1 -C 4 )alkyl group or an —NHSO 2 phenyl group, said phenyl possibly being substituted with a halogen atom, with a (C 1 -C 4 )alkyl group or with a (C 1 -C 4 )alkoxy group; R 1 represents a hydrogen atom or a (C 1 -C 4 )alkyl group, a —CO(C 1 -C 4 )alkyl group, a phenyl-(C 1 -C 4 )alkyl group or a —COphenyl group, said phenyl also possibly being substituted with a halogen atom or with a (C 1 -C 4 )alkoxy group; R 2 is a hydrogen atom or an —SO 2 (C 1 -C 4 )alkyl group, an —SO 2 phenyl-(C 1 -C 4 )alkyl group or an —SO 2 phenyl group; X completes a ring of 5 to 8 atoms, said ring being saturated or unsaturated, possibly being substituted with one or two (C 1 -C 4 )alkyl groups and bearing one or two carbonyl groups; n, m and z are, independently, 0, 1 or 2; R 3 represents a hydrogen or halogen atom, a (C 1 -C 6 )alkyl group, a (C 1 -C 4 )alkoxy group, a —COO(C 1 -C 4 )alkyl group, a —CO(C 1 -C 4 )alkyl group, an —NHSO 2 (C 1 -C 4 )alkyl group, an —NHSO 2 phenyl-(C 1 -C 4 )alkyl groups, —NO 2 , —CN, —CONR 4 R 5 , —COOH, or a 4,5-dihydro-1,3-oxazol-2-yl or 4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl group; R 4 and R 5 represent, independently, a hydrogen atom, a phenyl, a (C 1 -C 4 )alkyl group or a phenyl-(C 1 -C 4 )alkyl group or R 4 and R 5 with the nitrogen atom to which they are attached, may form a ring of 5 to 7 atoms in total; and to the salts or solvates thereof, to the pharmaceutical compositions containing them, to a process for the preparation thereof and to intermediates in this process.

  本发明涉及以下公式（I）的化合物： 其中，A是公式（a）或（b）的基团； 其中，R表示氢或卤素原子、—S（O）z（C1-C4）烷基、—NHSO2（C1-C4）烷基、—SO2NH（C1-C4）烷基、—NHSO2苯基-(C1-C4)烷基或—NHSO2苯基，所述苯可能被卤素原子、(C1-C4)烷基或(C1-C4)氧烷基取代； R1表示氢原子或(C1-C4)烷基、—CO（C1-C4）烷基、苯基-(C1-C4)烷基或—CO苯基，所述苯也可能被卤素原子或(C1-C4)氧烷基取代； R2是氢原子或—SO2（C1-C4）烷基、—SO2苯基-(C1-C4)烷基或—SO2苯基； X完成5至8个原子的环，该环饱和或不饱和，可能被一个或两个(C1-C4)烷基取代，并带有一个或两个羰基基团； n，m和z独立地为0，1或2； R3表示氢或卤素原子、(C1-C6)烷基、(C1-C4)氧烷基、—COO（C1-C4）烷基、—CO（C1-C4）烷基、—NHSO2（C1-C4）烷基、—NHSO2苯基-(C1-C4)烷基、—NO2、—CN、—CONR4R5、—COOH或4,5-二氢-1,3-噁唑-2-基或4,4-二甲基-4,5-二氢-1,3-噁唑-2-基； R4和R5独立地表示氢原子、苯基、(C1-C4)烷基或苯基-(C1-C4)烷基，或R4和R5与它们所连接的氮原子可以总共形成5至7个原子的环；以及其盐或溶剂化物、含有它们的制药组合物、制备它们的过程和该过程中的中间体。
• CYCLOHEXYL(ALKYL)PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME
  申请人：Bovy Philippe R.

  公开号：US20080261949A1

  公开（公告）日：2008-10-23

  The present invention relates to the compounds of formula (I): in which A is a group of formula (a) or (b) in which R represents a hydrogen or halogen atom, an —S(O) z (C 1 -C 4 )alkyl group, an —NHSO 2 (C 1 -C 4 )alkyl group, an —SO 2 NH(C 1 -C 4 )alkyl group, an —NHSO 2 phenyl-(C 1 -C 4 )alkyl group or an —NHSO 2 phenyl group, said phenyl possibly being substituted with a halogen atom, with a (C 1 -C 4 )alkyl group or with a (C 1 -C 4 )alkoxy group; R 1 represents a hydrogen atom or a (C 1 -C 4 )alkyl group, a —CO(C 1 -C 4 )alkyl group, a phenyl-(C 1 -C 4 )alkyl group or a —COphenyl group, said phenyl also possibly being substituted with a halogen atom or with a (C 1 -C 4 )alkoxy group; R 2 is a hydrogen atom or an —SO 2 (C 1 -C 4 )alkyl group, an —SO 2 phenyl-(C 1 -C 4 )alkyl group or an —SO 2 phenyl group; X completes a ring of 5 to 8 atoms, said ring being saturated or unsaturated, possibly being substituted with one or two (C 1 -C 4 )alkyl groups and bearing one or two carbonyl groups; n, m and z are, independently, 0, 1 or 2; R 3 represents a hydrogen or halogen atom, a (C 1 -C 6 )alkyl group, a (C 1 -C 4 )alkoxy group, a —COO(C 1 -C 4 )alkyl group, a —CO(C 1 -C 4 )alkyl group, an —NHSO 2 (C 1 -C 4 )alkyl group, an —NHSO 2 phenyl-(C 1 -C 4 )alkyl groups, —NO 2 , —CN, —CONR 4 R 5 , —COOH, or a 4,5-dihydro-1,3-oxazol-2-yl or 4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl group; R 4 and R 5 represent, independently, a hydrogen atom, a phenyl, a (C 1 -C 4 )alkyl group or a phenyl-(C 1 -C 4 )alkyl group or R 4 and R 5 with the nitrogen atom to which they are attached, may form a ring of 5 to 7 atoms in total; and to the salts or solvates thereof, to the pharmaceutical compositions containing them, to a process for the preparation thereof and to intermediates in this process.

  本发明涉及公式（I）的化合物： 其中A是公式（a）或（b）的基团： 其中R表示氢或卤素原子，-S（O）z（C1-C4）烷基，-NHSO2（C1-C4）烷基，-SO2NH（C1-C4）烷基，-NHSO2苯基-（C1-C4）烷基或-NHSO2苯基，所述苯基可能被卤素原子，（C1-C4）烷基或（C1-C4）氧烷基取代； R1表示氢原子或（C1-C4）烷基，-CO（C1-C4）烷基，苯基-（C1-C4）烷基或-CO苯基，所述苯基也可能被卤素原子或（C1-C4）氧烷基取代； R2是氢原子或-SO2（C1-C4）烷基，-SO2苯基-（C1-C4）烷基或-SO2苯基； X完成由5到8个原子组成的环，该环饱和或不饱和，可能被一个或两个（C1-C4）烷基取代，并带有一个或两个羰基基团； n，m和z独立地为0、1或2； R3表示氢或卤素原子，（C1-C6）烷基，（C1-C4）氧烷基，-COO（C1-C4）烷基，-CO（C1-C4）烷基，-NHSO2（C1-C4）烷基，-NHSO2苯基-（C1-C4）烷基，-NO2，-CN，-CONR4R5，-COOH或4,5-二氢-1,3-噁唑-2-基或4,4-二甲基-4,5-二氢-1,3-噁唑-2-基； R4和R5独立地表示氢原子，苯基，（C1-C4）烷基或苯基-（C1-C4）烷基，或R4和R5与它们附着的氮原子一起可以形成总共5到7个原子的环；以及其盐或溶剂，含有它们的制药组合物，制备过程和其中间体的本发明。
• Cyclohexyl(alkyl)propanolamines, Preparation Method and Pharmaceutical Compositions Containing Same
  申请人：BOVY R. Philippe

  公开号：US20070015745A1

  公开（公告）日：2007-01-18

  The present invention relates to the compounds of formula (I): in which A is a group of formula (a) or (b) in which R represents a hydrogen or halogen atom, an —S(O) z (C 1 -C 4 )alkyl group, an —NHSO 2 (C 1 -C 4 )alkyl group, an —SO 2 NH(C 1 -C 4 )alkyl group, an —NHSO 2 phenyl-(C 1 -C 4 )alkyl group or an —NHSO 2 phenyl group, said phenyl possibly being substituted with a halogen atom, with a (C 1 -C 4 )alkyl group or with a (C 1 -C 4 )alkoxy group; R 1 represents a hydrogen atom or a (C 1 -C 4 )alkyl group, a —CO(C 1 -C 4 )alkyl group, a phenyl-(C 1 -C 4 )alkyl group or a —CO—phenyl group, said phenyl also possibly being substituted with a halogen atom or with a (C 1 -C 4 )alkoxy group; R 2 is a hydrogen atom or an —SO 2 (C 1 -C 4 )alkyl group, an —SO 2 phenyl-(C 1 -C 4 )alkyl group or an —SO 2 phenyl group; X completes a ring of 5 to 8 atoms, said ring being saturated or unsaturated, possibly being substituted with one or two (C 1 -C 4 )alkyl groups and bearing one or two carbonyl groups; n, m and z are, independently, 0, 1 or 2; R 3 represents a hydrogen or halogen atom, a (C 1 -C 6 )alkyl group, a (C 1 -C 4 )alkoxy group, a —COO(C 1 -C 4 )alkyl group, a —CO(C 1 -C 4 )alkyl group, an —NHSO 2 (C 1 -C 4 )alkyl group, an —NHSO 2 phenyl-(C 1 -C 4 )alkyl groups, —NO 2 , —CN, —CONR 4 R 5 , —COOH, or a 4,5-dihydro-1,3-oxazol-2-yl or 4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl group; R4 and R 5 represent, independently, a hydrogen atom, a phenyl, a (C 1 -C 4 )alkyl group or a phenyl-(C 1 -C 4 )alkyl group or R 4 and R 5 with the nitrogen atom to which they are attached, may form a ring of 5 to 7 atoms in total; and to the salts or solvates thereof, to the pharmaceutical compositions containing them, to a process for the preparation thereof and to intermediates in this process.

  本发明涉及式(I)的化合物： 其中，A是式(a)或(b)的基团： 其中，R代表氢或卤素原子，-S(O)z(C1-C4)烷基，-NHSO2(C1-C4)烷基，-SO2NH(C1-C4)烷基，-NHSO2苯基-(C1-C4)烷基或-NHSO2苯基，所述苯可能被卤素原子，(C1-C4)烷基或(C1-C4)氧代基取代；R1代表氢原子或(C1-C4)烷基，-CO(C1-C4)烷基，苯基-(C1-C4)烷基或-CO-苯基，所述苯也可能被卤素原子或(C1-C4)氧代基取代；R2是氢原子或-SO2(C1-C4)烷基，-SO2苯基-(C1-C4)烷基或-SO2苯基；X完成一个由5到8个原子组成的环，该环饱和或不饱和，可能被一个或两个(C1-C4)烷基取代，并带有一个或两个羰基基团；n，m和z独立地为0，1或2；R3代表氢或卤素原子，(C1-C6)烷基，(C1-C4)氧代基，-COO(C1-C4)烷基，-CO(C1-C4)烷基，-NHSO2(C1-C4)烷基，-NHSO2苯基-(C1-C4)烷基，-NO2，-CN，-CONR4R5，-COOH或4,5-二氢-1,3-噁唑-2-基或4,4-二甲基-4,5-二氢-1,3-噁唑-2-基；R4和R5独立地代表氢原子，苯基，(C1-C4)烷基或苯基-(C1-C4)烷基，或R4和R5与它们所连接的氮原子可以总共形成一个由5到7个原子组成的环；以及它们的盐或溶剂合物，含有它们的制药组合物，制备它们的过程以及在该过程中的中间体。
• Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same
  申请人：Sanofi-Aventis

  公开号：US07419974B2

  公开（公告）日：2008-09-02

  The present invention relates to the compounds of formula (I): in which A is a group of formula (a) or (b) in which R represents a hydrogen or halogen atom, an —S(O)z(C1-C4)alkyl group, an —NHSO2(C1-C4)alkyl group, an —SO2NH(C1-C4)alkyl group, an —NHSO2phenyl-(C1-C4)alkyl group or an —NHSO2phenyl group, said phenyl possibly being substituted with a halogen atom, with a (C1-C4)alkyl group or with a (C1-C4)alkoxy group; R1 represents a hydrogen atom or a (C1-C4)alkyl group, a —CO(C1-C4)alkyl group, a phenyl-(C1-C4)alkyl group or a —COphenyl group, said phenyl also possibly being substituted with a halogen atom or with a (C1-C4)alkoxy group; R2 is a hydrogen atom or an —SO2(C1-C4)alkyl group, an —SO2phenyl-(C1-C4)alkyl group or an —SO2phenyl group; X completes a ring of 5 to 8 atoms, said ring being saturated or unsaturated, possibly being substituted with one or two (C1-C4)alkyl groups and bearing one or two carbonyl groups; n, m and z are, independently, 0, 1 or 2; R3 represents a hydrogen or halogen atom, a (C1-C6)alkyl group, a (C1-C4)alkoxy group, a —COO(C1-C4)alkyl group, a —CO(C1-C4)alkyl group, an —NHSO2(C1-C4)alkyl group, an —NHSO2phenyl-(C1-C4)alkyl groups, —NO2, —CN, —CONR4R5, —COOH, or a 4,5-dihydro-1,3-oxazol-2-yl or 4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl group; R4 and R5 represent, independently, a hydrogen atom, a phenyl, a (C1-C4)alkyl group or a phenyl-(C1-C4)alkyl group or R4 and R5 with the nitrogen atom to which they are attached, may form a ring of 5 to 7 atoms in total; and to the salts or solvates thereof, to the pharmaceutical compositions containing them, to a process for the preparation thereof and to intermediates in this process.

  本发明涉及式(I)的化合物： 其中，A是式(a)或(b)的基团，其中R代表氢原子或卤素原子，-S(O)z(C1-C4)烷基，-NHSO2(C1-C4)烷基，-SO2NH(C1-C4)烷基，-NHSO2苯基-(C1-C4)烷基或-NHSO2苯基，所述苯基可能被卤素原子、(C1-C4)烷基或(C1-C4)烷氧基取代；R1代表氢原子或(C1-C4)烷基，-CO(C1-C4)烷基，苯基-(C1-C4)烷基或-CO苯基，所述苯基也可能被卤素原子或(C1-C4)烷氧基取代；R2是氢原子或-SO2(C1-C4)烷基，-SO2苯基-(C1-C4)烷基或-SO2苯基；X完成5到8个原子的环，该环饱和或不饱和，可能被一个或两个(C1-C4)烷基取代，且带有一个或两个羰基；n、m和z分别为0、1或2；R3代表氢原子或卤素原子、(C1-C6)烷基、(C1-C4)烷氧基、-COO(C1-C4)烷基、-CO(C1-C4)烷基、-NHSO2(C1-C4)烷基、-NHSO2苯基-(C1-C4)烷基、-NO2、-CN、-CONR4R5、-COOH或4,5-二氢-1,3-噁唑-2-基或4,4-二甲基-4,5-二氢-1,3-噁唑-2-基；R4和R5分别代表氢原子、苯基、(C1-C4)烷基或苯基-(C1-C4)烷基，或R4和R5与它们所连接的氮原子一起可以形成总共5到7个原子的环；以及其盐或溶剂，以及包含它们的制药组合物、制备它们的过程和该过程中的中间体。