O-carbamoyl-(L)-3-oxymethyl-1,2,3,4-tetrahydroisoquinoline | 243858-56-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: O-carbamoyl-(L)-3-oxymethyl-1,2,3,4-tetrahydroisoquinoline
• 英文别名: (S)-3-carbamoyloxycarbonyl-1,2,3,4-tetrahydroisoquinoline；(S)-3-Carbamoyloxymethyl-1,2,3,4-tetrahydroisoquinoline；3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-, carbamate (ester), (3S)-；[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl carbamate
• CAS: 243858-56-2
• 化学式: C₁₁H₁₄N₂O₂
• 分子量: 206.244
• InChiKey: WPRQINGERAXVED-JTQLQIEISA-N

物化性质

• 沸点：
  412.6±25.0 °C(Predicted)
• 密度：
  1.165±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  O-carbamoyl-(L)-3-oxymethyl-1,2,3,4-tetrahydroisoquinoline 在 盐酸 作用下， 以 异丙醇 为溶剂， 生成 (S)-3-carbamoyloxymethyl-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME

  摘要：

  公开号：

  EP1149079B1
• 作为产物：
  描述：

  (S)-N-benzyloxycarbonyl-3-carbamoyloxycarbonyl-1,2,3,4-tetrahydroisoquinoline 以 甲醇 、 palladium-carbon 为溶剂， 生成 O-carbamoyl-(L)-3-oxymethyl-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Tetrahydroisoquinolinealkanol derivatives and pharmaceutical

  摘要：

  本发明提供了新颖的1,2,3,4-四氢异喹啉氨基甲酸酯和硫代氨基甲酸酯衍生物，其结构如式I所示 ##STR1## 其中：X1和X2彼此相同或不同，独立地表示氢、烷基、烷氧基、硫代烷氧基、卤素、羟基、硝基和三氟甲基中的一种；Y表示氧或硫；R1表示氢、烷基、芳基烷基和CONHR'中的一种，其中R'表示氢、烷基、芳基烷基和芳基中的一种；R2和R3彼此相同或不同，独立地表示氢、烷基、芳基烷基和环烷基中的一种，或者R2和R3可以与它们所连接的氮原子一起形成5至7元环；R4表示氢或低级烷基；以及其无毒的药理学上可接受的盐。这些化合物可用于治疗中枢神经系统疾病，包括抑郁症。

  公开号：

  US05955471A1

文献信息

• Process of preparing O-carbamoyl compounds in the presence of active amine group
  申请人：Choi Yong-Moon

  公开号：US20050080268A1

  公开（公告）日：2005-04-14

  A process for preparing O-carbamoyl aminoalcohols represented by Formula I wherein: n is an integer from 0 and 5; R 1 , R 2 , R 3 and R 4 are individually selected from the group consisting of hydrogen, alkyl, cycloalkyl, substituted or unsubstituted aryl and arylalkyl the aryl portion of which may be unsubstituted or substituted; R 5 and R 6 are individually selected from the group consisting of hydrogen, alkyl or arylalkyl the aryl portion of which may be unsubstituted or substituted; or R 1 and R 5 together with the carbon and nitrogen to which they are attached may form an unfused or fused heterocyclic ring having from 4 to 10 members, comprising reacting an aminoalcohol represented by Formula II wherein n, R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined; with a cyanate and an excess of an acid in an organic solvent medium.

  一种制备式I的O-氨基醇衍生物的方法，其中：n为0到5的整数；R1、R2、R3和R4分别选自氢、烷基、环烷基、取代或未取代芳基和芳基烷基的群体，其中芳基部分可以未取代或取代；R5和R6分别选自氢、烷基或芳基烷基的群体，其中芳基部分可以未取代或取代；或者R1和R5与它们所连接的碳和氮一起可以形成具有4到10个成员的未融合或融合的杂环环；包括在有机溶剂介质中，用氰酸酯和过量的酸反应式II的氨基醇衍生物，其中n、R1、R2、R3、R4、R5和R6如上所定义。
• NEW ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Les Laboratoires Servier

  公开号：EP3024826B1

  公开（公告）日：2018-11-14
• US5955471A
  申请人：——

  公开号：US5955471A

  公开（公告）日：1999-09-21
• [EN] TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME<br/>[FR] DERIVES DE TETRAHYDRO ISOQUINO LINEALCANOL ET COMPOSITIONS PHARMACEUTIQUES CONTENANTS CES DERIVES
  申请人：SK CORP

  公开号：WO2000046204A1

  公开（公告）日：2000-08-10

  The present invention provides novel 1,2,3,4-tetrahydro isoquinoline carbamate and thiocarbamate derivatives represented by Formula (I), wherein: X1 and X2 are the same or different from each other and independently represent a member selected from the group consisting of hydrogen, alkyl, alkoxy, thioalkoxy, halogen, hydroxy, nitro and trifluorocarbon; Y is a member selected from the group consisting of oxygen and sulfur; R1 is a member selected from the group consisting of hydrogen, alkyl, arylalkyl, and CONHR' where R' is selected from the group consisting of hydrogen, alkyl, arylalkyl and aryl; R2 and R3 are the same or different from each other and independently represent a member selected from the group consisting of hydrogen, alkyl, arylalkyl, and cycloalkyl, or R2 and R3 may form a 5 to 7-membered ring together with the nitrogen atom to which they are bonded; R4 is a member selected from the group consisting of hydrogen or lower alkyl; and nontoxic pharmacologically acceptable salts thereof. Compounds are useful in the treatment of central nervous system disorders, including depression.
• Tetrahydroisoquinolinealkanol derivatives and pharmaceutical
  申请人：SK Corporation

  公开号：US05955471A1

  公开（公告）日：1999-09-21

  The present invention provides novel 1,2,3,4-tetrahydroisoquinoline carbamate and thiocarbamate derivatives represented by Formula I ##STR1## wherein: X.sub.1 and X.sub.2 are the same or different from each other and independently represent a a member selected from the group consisting of hydrogen, alkyl, alkoxy, thioalkoxy, halogen, hydroxy, nitro and trifluorocarbon; Y is a member selected from the group consisting of oxygen and sulfur; R.sub.1 is a member selected from the group consisting of hydrogen, alkyl, arylalkyl, and CONHR' where R' is selected from the group consisting of hydrogen, alkyl, arylalkyl and aryl; R.sub.2 and R.sub.3 are the same or different from each other and independently represent a member selected from the group consisting of hydrogen, alkyl, arylalkyl, and cycloalkyl, or R.sub.2 and R.sub.3 may form a 5 to 7-membered ring together with the nitrogen atom to which they are bonded; R.sub.4 is a member selected from the group consisting of hydrogen or lower alkyl; and nontoxic pharmacologically acceptable salts thereof. Compounds are useful in the treatment of central nervous system disorders, including depression.

  本发明提供了新颖的1,2,3,4-四氢异喹啉氨基甲酸酯和硫代氨基甲酸酯衍生物，其结构如式I所示 ##STR1## 其中：X1和X2彼此相同或不同，独立地表示氢、烷基、烷氧基、硫代烷氧基、卤素、羟基、硝基和三氟甲基中的一种；Y表示氧或硫；R1表示氢、烷基、芳基烷基和CONHR'中的一种，其中R'表示氢、烷基、芳基烷基和芳基中的一种；R2和R3彼此相同或不同，独立地表示氢、烷基、芳基烷基和环烷基中的一种，或者R2和R3可以与它们所连接的氮原子一起形成5至7元环；R4表示氢或低级烷基；以及其无毒的药理学上可接受的盐。这些化合物可用于治疗中枢神经系统疾病，包括抑郁症。