8-氨基-2,3-二氢-苯并[1,4]二噁英-5-羧酸 | 66411-22-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 8-氨基-2,3-二氢-苯并[1,4]二噁英-5-羧酸
• 中文别名: 8-氨基-2,3-二氢苯并[1,4]二恶英-5-羧酸
• 英文名称: 8-amino-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylic acid
• 英文别名: 5-amino-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid；8-amino-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid；8-amino-1,4-benzodioxane-5-carboxylic acid
• CAS: 66411-22-1
• 化学式: C₉H₉NO₄
• mdl: MFCD09261180
• 分子量: 195.175
• InChiKey: LKYLYFSTNNVQNS-UHFFFAOYSA-N

物化性质

• 沸点：
  399.4±42.0 °C(Predicted)
• 密度：
  1.465±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  81.8
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2932999099
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  8-氨基-2,3-二氢-苯并[1,4]二噁英-5-羧酸 在 N-氯代丁二酰亚胺 、 溶剂黄146 作用下， 反应 8.0h， 生成 8-amino-7-chloro-2,3-dihydro-benzo[1,4]dioxine-5-carboxylic acid
  参考文献：
  名称：

  Pilot Scale Process Development of SL65.0102-10, an N-Diazabicyclo[2.2.2]-octylmethyl Benzamide

  摘要：

  The process development and improvements for route selection, adapted to large scale for the pilot-scale preparation of SL65.0102-10, an N-diazabicyclo[2.2.2]-octylmethyl benzamide, a 5-HT3 and 5-HT4 receptor active ligand for the treatment of neurological disorders such as cognition impairment, are described in this article. Notable steps and enhancements are compared to the original route, including the improvement of a chiral epoxide synthesis by shortening the number of chemical steps, the deprotection of a quaternary ammonium salt, and the redesign of the final amidification coupling to avoid chromatography.

  DOI：

  10.1021/acs.oprd.6b00262
• 作为产物：
  描述：

  2,3-二氢-1,4-苯并二烷-5-羧酸 在 硫酸 、 palladium 10% on activated carbon 、 氢气 、 溴 、 硝酸 、 sodium carbonate 、 溶剂黄146 作用下， 以 水 为溶剂， 80.0 ℃ 、1.0 MPa 条件下， 反应 34.0h， 生成 8-氨基-2,3-二氢-苯并[1,4]二噁英-5-羧酸
  参考文献：
  名称：

  [EN] MDM2 DEGRADERS AND USES THEREOF
  [FR] AGENTS DE DÉGRADATION DE MDM2 ET LEURS UTILISATIONS

  摘要：

  本发明涉及化合物和方法，通过本发明的化合物对小鼠双分子2同源蛋白（"MDM2"）蛋白进行泛素化和/或降解的调节。

  公开号：

  WO2021188948A1

文献信息

• Substituted 2,3-alkylene bis (oxy) benzamides and derivatives and method
  申请人：Societe D'Etudes Scientifiques et Industrielles de L'ile-de-France

  公开号：US04186135A1

  公开（公告）日：1980-01-29

  Novel substituted 2,3-alkylene bis (oxy) benzamides and derivatives thereof are disclosed. Also disclosed is a method for producing said compounds. The compounds have anxiolytic, psychostimulant, disinhibiting and thymoanaleptic properties useful therapeutically in the psychofunctional field, particularly in gastro-enterology, cardiology, urology, rheumatology and gynaecology.

  揭示了新型取代的2,3-烷基双(氧基)苯甲酰胺及其衍生物。还公开了一种生产该类化合物的方法。这些化合物具有抗焦虑、精神刺激、解禁和抗抑郁特性，在心理功能领域中具有治疗作用，特别是在胃肠病学、心脏病学、泌尿学、风湿病学和妇科学中。
• [EN] 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE<br/>[FR] DÉRIVÉS 2-PHÉNYLAMINOPYRIMIDINES EN TANT QUE MODULATEURS DE KINASE LRRK2 POUR LE TRAITEMENT DE LA MALADIE DE PARKINSON
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013079494A1

  公开（公告）日：2013-06-06

  Specific Compounds of formula (I): or pharmaceutically acceptable salts thereof, wherein m, X, R, R2, R3, R, R6 and R7 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of diseases associated with LRRK2 receptor, such as Parkinson's disease.

  具有以下化学式（I）的特定化合物：或其药用可接受的盐，其中m、X、R、R2、R3、R、R6和R7如本文所定义。还公开了制备这些化合物的方法，并使用这些化合物治疗与LRRK2受体相关的疾病，如帕金森病。
• 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。
• 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。
• Substituted 2,3-alkylene bis (oxy) benzamides and derivatives
  申请人：Siociete d'Etudes Scientifiques et Industrielles de L'ile-de-France

  公开号：US04255580A1

  公开（公告）日：1981-03-10

  Novel substituted 2,3-alkylene bis (oxy) benzamides and derivatives thereof are disclosed. Also disclosed is a method for producing said compounds. The compounds have anxiolytic, psychostimulant, disinhibiting and thymoanaleptic properties useful therapeutically in the psychofunctional field, particularly in gastro-enterology, cardiology, urology, rheumatology and gynaecology.

  本发明揭示了新型的2,3-烷基双（氧）苯甲酰胺及其衍生物。同时，还揭示了一种制备该化合物的方法。这些化合物具有抗焦虑、精神兴奋、解抑制和情绪提升的特性，在心理功能领域中有治疗作用，特别是在胃肠病学、心脏病学、泌尿学、风湿病学和妇科学中有用。