phenylmethyl [6-chloro-8-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]carbamate | 191024-19-8

• 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: phenylmethyl [6-chloro-8-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]carbamate
• 英文别名: Phenylmethyl [6-chloro-8-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)2,3-dihydro-1,4-benzodioxin-5-yl)carbamate；benzyl N-[6-chloro-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]carbamate
• CAS: 191024-19-8
• 化学式: C₁₈H₁₄ClN₃O₆
• 分子量: 403.779
• InChiKey: YLPNUUCSFYZZER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  phenylmethyl [6-chloro-8-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]carbamate 、 N-Boc-4-羟基哌啶 在 N-Boc-4-羟基哌啶 作用下， 生成 Phenylmethyl [6-chloro-8-[4-[1-[(1,1-dimethylethoxy)carbonyl]piperidin-4-yl]-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxin-5-yl]carbamate
  参考文献：
  名称：

  5-phenyl-3-(piperidin-4-yl)-1,3,4-oxadiazol-2(3H)-one derivatives for

  摘要：

  该一般式（I）的化合物 ##STR1## 其中R.sub.1代表（C.sub.1-C.sub.4）烷基或（C.sub.3-C.sub.7）环烷基甲基基团，X.sub.1代表氢或卤素原子或（C.sub.1-C.sub.4）烷氧基团或者OR.sub.1和X.sub.1一起代表公式- OCH.sub.2 O-，-O(CH.sub.2).sub.2-，-O(CH.sub.2).sub.3-，-O(CH.sub.2).sub.2O-或-O(CH.sub.2).sub.3O-的基团，X.sub.2代表氢原子或氨基团，X.sub.3代表氢或卤素原子，R.sub.2代表氢原子或可选取代的（C.sub.1-C.sub.6）烷基或苯（C.sub.1-C.sub.4）烷基基团，其在苯环上可选取代，或苯（C.sub.2-C.sub.3）烯基基团或苯氧（C.sub.2-C.sub.4）烷基基团或环（C.sub.3-C.sub.7）烷基甲基基团或2,3-二氢-1H-茚-1-基或2,3-二氢-1H-茚-2-基团或一般式-(CH.sub.2).sub.nCO-Z的基团，其中n代表1至6的数字，Z代表哌啶-1-基或4-（二甲氨基）哌啶-1-基团。应用于治疗学。

  公开号：

  US05929089A1
• 作为产物：
  描述：

  8-amino-7-chloro-2,3-dihydro-benzo[1,4]dioxane-5-carboxylic acid hydrazide 生成 phenylmethyl [6-chloro-8-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]carbamate
  参考文献：
  名称：

  5-phenyl-3-(piperidin-4-yl)-1,3,4-oxadiazol-2(3H)-one derivatives for

  摘要：

  该一般式（I）的化合物 ##STR1## 其中R.sub.1代表（C.sub.1-C.sub.4）烷基或（C.sub.3-C.sub.7）环烷基甲基基团，X.sub.1代表氢或卤素原子或（C.sub.1-C.sub.4）烷氧基团或者OR.sub.1和X.sub.1一起代表公式- OCH.sub.2 O-，-O(CH.sub.2).sub.2-，-O(CH.sub.2).sub.3-，-O(CH.sub.2).sub.2O-或-O(CH.sub.2).sub.3O-的基团，X.sub.2代表氢原子或氨基团，X.sub.3代表氢或卤素原子，R.sub.2代表氢原子或可选取代的（C.sub.1-C.sub.6）烷基或苯（C.sub.1-C.sub.4）烷基基团，其在苯环上可选取代，或苯（C.sub.2-C.sub.3）烯基基团或苯氧（C.sub.2-C.sub.4）烷基基团或环（C.sub.3-C.sub.7）烷基甲基基团或2,3-二氢-1H-茚-1-基或2,3-二氢-1H-茚-2-基团或一般式-(CH.sub.2).sub.nCO-Z的基团，其中n代表1至6的数字，Z代表哌啶-1-基或4-（二甲氨基）哌啶-1-基团。应用于治疗学。

  公开号：

  US05929089A1

文献信息

• 3-(Pyrrolidin-3-yl)-1,3,4-oxadiazol-2(3H)-one derivatives and their use as 5-HT4 ligands
  申请人：Sanofi-Synthelabo

  公开号：US06248757B1

  公开（公告）日：2001-06-19

  Compounds corresponding to the general formula (I) in which R1 represents hydrogen or an alkyl or cycloalkylmethyl group, X1 represents hydrogen or a halogen or an alkoxy group, or alternatively OR1 and X1 together represent a group of formula —OCH2O—, —O(CH2)2—, —O(CH2)3—, —O(CH2)2O— or —O(CH2)3O—, X2 represents hydrogen, an amino group or a group of general formula —NHCO2R in which R represents an alkyl or phenylalkyl group, X3 represents hydrogen or a halogen, and R2 represents hydrogen or an alkyl, phenylalkyl or [(4-dimethylamino)piperid-1-ylcarbonyl]alkyl group. Therapeutic application.

  通式（I）的化合物，其中R1代表氢或烷基或环烷基甲基基团，X1代表氢或卤素或烷氧基，或者OR1和X1一起代表通式为—OCH2O—、—O(CH2)2—、—O(CH2)3—、—O(CH2)2O—或—O(CH2)3O—的基团，X2代表氢、氨基或通式为—NHCO2R（其中R代表烷基或苯基烷基）的基团，X3代表氢或卤素，R2代表氢或烷基、苯基烷基或[(4-二甲基氨基)哌啶-1-基甲酰]烷基基团。治疗应用。
• 5-aryl-3-(8-azabicyclo[3.2.1]oct-3-yl)-1,3,4-oxadiazol-2(3H)-one derivatives as 5-ht4 receptor ligands
  申请人：Sanofi-Synthelabo

  公开号：US06255319B1

  公开（公告）日：2001-07-03

  Compound of general formula (I) in which R1 represents an alkyl or cycloalkylmethyl group, X1 represents a hydrogen or halogen atom or an alkoxy group, or alternatively OR1 and X1 together represent an —OCH2O—, —O(CH2)2—, —O(CH2)3—, —O(CH2)2O— or —(CH2)3O— group, X2 represents a hydrogen atom or an amino group, X3 represents a hydrogen or halogen atom, and R2 represents a hydrogen atom, an optionally substituted alkyl group, an optionally substituted phenylalkyl group or a group —(CH2)nCO—Z in which n represents a number from 1 to 6 and Z represents a 1-piperidyl group. Therapeutic application.

  通式（I）的化合物，其中R1表示烷基或环烷基甲基基团，X1表示氢或卤素原子或烷氧基，或者OR1和X1共同表示- OCH2O-，-O（CH2）2-，-O（CH2）3-，-O（CH2）2O-或-（CH2）3O-基团，X2表示氢原子或氨基，X3表示氢或卤素原子，R2表示氢原子，可选取代烷基基团，可选取代苯基烷基基团或-（CH2）nCO-Z基团，其中n表示1至6的数字，Z表示1-哌啶基团。治疗应用。
• US5929089A
  申请人：——

  公开号：US5929089A

  公开（公告）日：1999-07-27
• 5-phenyl-3-(piperidin-4-yl)-1,3,4-oxadiazol-2(3H)-one derivatives for
  申请人：Synthelabo

  公开号：US05929089A1

  公开（公告）日：1999-07-27

  Compounds corresponding to the general formula (I) ##STR1## in which R.sub.1 represents a (C.sub.1 -C.sub.4)alkyl or (C.sub.3 -C.sub.7)cycloalkylmethyl group, X.sub.1 represents a hydrogen or halogen atom or a (C.sub.1 -C.sub.4)alkoxy group or else OR.sub.1 and X.sub.1 together represent a group of formula -OCH.sub.2 O-, -O(CH.sub.2).sub.2 -, -O(CH.sub.2).sub.3 -, -O(CH.sub.2).sub.2 O- or -O(CH.sub.2).sub.3 O-, X.sub.2 represents a hydrogen atom or an amino group, X.sub.3 represents a hydrogen or halogen atom, and R.sub.2 represents either a hydrogen atom or an optionally substituted (C.sub.1 -C.sub.6) alkyl group or a phenyl (C.sub.1 -C.sub.4) alkyl group which is optionally substituted on the phenyl ring or a phenyl (C.sub.2 -C.sub.3) alkenyl group or a phenoxy (C.sub.2 -C.sub.4) alkyl group or a cyclo (C.sub.3 -C.sub.7) alkylmethyl group or a 2,3-dihydro-1H-inden-1-yl or 2,3-dihydro-1H-inden-2-yl group or a group of general formula -(CH.sub.2).sub.n CO-Z in which n represents a number from 1 to 6 and Z represents a piperidin-1-yl or 4-(dimethylamino)piperidin-1-yl group. Application in therapeutics.

  通式（I）对应的化合物为 ##STR1## 其中，R.sub.1代表（C.sub.1-C.sub.4）烷基或（C.sub.3-C.sub.7）环烷甲基基团，X.sub.1代表氢或卤素原子或（C.sub.1-C.sub.4）烷氧基团或OR.sub.1和X.sub.1一起代表公式-OCH.sub.2 O-，-O(CH.sub.2).sub.2-，-O(CH.sub.2).sub.3-，-O(CH.sub.2).sub.2 O-或-O(CH.sub.2).sub.3 O-的基团，X.sub.2代表氢原子或氨基团，X.sub.3代表氢或卤素原子，R.sub.2代表氢原子或可选取代的（C.sub.1-C.sub.6）烷基基团或可选取代苯环上的苯基（C.sub.1-C.sub.4）烷基基团或苯基（C.sub.2-C.sub.3）烯基基团或苯氧基（C.sub.2-C.sub.4）烷基基团或环（C.sub.3-C.sub.7）烷基甲基基团或2,3-二氢-1H-茚-1-基或2,3-二氢-1H-茚-2-基团或一般公式-(CH.sub.2).sub.n CO-Z中的基团，其中n表示从1到6的数字，Z表示哌啶-1-基或4-（二甲氨基）哌啶-1-基团。在治疗学中应用。