α-(2,3-dihydro-4-oxo-4H-1-benzothiopyran-3-yl)acetic acid | 111993-97-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫铬烷
• 英文名称: α-(2,3-dihydro-4-oxo-4H-1-benzothiopyran-3-yl)acetic acid
• 英文别名: 4-oxo-1-thiochroman-3-acetic acid；(4-Oxo-3,4-dihydro-2H-1-benzothiopyran-3-yl)acetic acid；2-(4-oxo-2,3-dihydrothiochromen-3-yl)acetic acid
• CAS: 111993-97-6
• 化学式: C₁₁H₁₀O₃S
• 分子量: 222.265
• InChiKey: VEWUNFFYDGCTMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  α-(2,3-dihydro-4-oxo-4H-1-benzothiopyran-3-yl)acetic acid 生成 2-phenyl-2,3,4,4a-tetrahydro-5H-(1)benzothiopyrano[4,3-c]pyridazin-3-one
  参考文献：
  名称：

  NAKAO, TORU;KAWAKAMI, MINORU;MORIMOTO, YASUTO;TAKEHARA, SHUZO;TAHARA, TET+

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(4-Oxo-2,3-dihydrothiochromen-3-yl)acetonitrile 、 盐酸 、 溶剂黄146 生成 α-(2,3-dihydro-4-oxo-4H-1-benzothiopyran-3-yl)acetic acid
  参考文献：
  名称：

  NAKAO, TOHRU;KAWAKAMI, MINORU;MORITA, KENJI;OBATA, MINORU;MORIMOTO, YASUT+, YAKUGAKU DZASSI, 110,(1990) N, S. 573-585

  摘要：

  DOI：

文献信息

• Benzothiopyrano[4,3-c]pyridazine compounds, methods for preparing said
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：US04843075A1

  公开（公告）日：1989-06-27

  A benzothiopyrano[4,3-c]pyridazine compound of the formula: ##STR1## wherein R.sup.1 and R.sup.2 are the same or different and each is hydrogen, halogen, trifluoromethyl, hydroxy, amino, nitro, cyano, C.sub.1-4 alkyl, C.sub.1-4 alkoxy or C.sub.2-5 alkanoylamido, R.sup.3 is hydrogen, C.sub.1-8 alkyl, hydroxy-C.sub.1-4 alkyl, C.sub.2-5 alkanoyloxy-C.sub.1-4 alkyl, pyridyl, aryl, aryl-C.sub.1-4 alkyl, or aryl or aryl-C.sub.1-4 alkyl substituted by at least one substituent selected from the group consisting of halogen, trifluoromethyl, hydroxy, hydroxy, amino, nitro, cyano, C.sub.1-4 alkyl, C.sub.1-4 alkoxy and C.sub.2-5 alkanoylamido on the aromatic ring, n is 0, 1 or 2, and the bond between the 4-position and the 4a-position is a single bond or double bond, a method for production thereof and a use thereof. The compounds possess anti-anxietic activity and are useful as drugs.

  一种苯并噻吩并[4,3-c]吡嗪化合物，其化学式为：##STR1## 其中R.sup.1和R.sup.2相同或不同，每个都是氢，卤素，三氟甲基，羟基，氨基，硝基，氰基，C.sub.1-4烷基，C.sub.1-4烷氧基或C.sub.2-5烷酰胺基，R.sup.3是氢，C.sub.1-8烷基，羟基-C.sub.1-4烷基，C.sub.2-5烷酰氧-C.sub.1-4烷基，吡啶基，芳基，芳基-C.sub.1-4烷基，或在芳环上至少有一个取代基，所述取代基选择自卤素，三氟甲基，羟基，氨基，硝基，氰基，C.sub.1-4烷基，C.sub.1-4烷氧基和C.sub.2-5烷酰胺基的群，n为0，1或2，4位和4a位之间的键为单键或双键，其制备方法和用途。这些化合物具有抗焦虑活性，并可用作药物。
• BENZOTHIOPYRANO(4,3-C)PYRIDAZINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：EP0252990A1

  公开（公告）日：1988-01-20

  Benzothiopyrano(4,3-C)pyridazine compounds represented by general formula (I), wherein R1 and R2, which may be the same or different, each represents hydrogen, halogen, trifluoromethyl, hydroxy, amino, nitro, cyano, Ci-4 alkyl, C1-4 alkoxy or C2-5 alkanoylamido, R3 represents hydrogen, C1-8 alkyl, hydroxy-C1-4 alkyl, C2-5 alkanoyloxy-C1-4 alkyl, pyridyi, aryl, aryl-C1-4 alkyl, or aryl or aryl-C1-4 alkyl having on the aromatic ring at least one substituent selected from the group consisting of halogen, trifluoromethyl, hydroxy, amino, nitro, cyano, C1-4 alkyl, C1-4 alkoxy and C2-5 alkanoylamido, n represents 0,1 or 2, and a bond - between the 4-position and 4a-position represents a single bond or a double bond. A process for their preparation, and the use thereof are disclosed. These compounds have an anti-anxiety effect, and are useful as drugs.

  由通式(I)代表的苯并噻喃并(4,3-C)哒嗪化合物，其中 R1 和 R2 可以相同或不同，各自代表氢、卤素、三氟甲基、羟基、氨基、硝基、氰基、Ci-4 烷基、C1-4 烷氧基或 C2-5 烷酰氨基，R3 代表氢、C1-8 烷基、羟基-C1-4 烷基、C2-5 烷酰氧基-C1-4 烷基、吡啶基、芳基、芳基-C1-4 烷基或芳基或芳基-C1-4 烷基、芳基、芳基-C1-4 烷基，或芳基或芳基-C1-4 烷基在芳环上具有至少一个选自卤素、三氟甲基、羟基、氨基、硝基、氰基、C1-4 烷基、C1-4 烷氧基和 C2-5 烷酰氨基组成的取代基，n 代表 0、1 或 2，4 位和 4a 位之间的键代表单键或双键。这些化合物的制备方法及其用途均已公开。这些化合物具有抗焦虑作用，可用作药物。
• Compounds effective against cerebral insufficiency
  申请人：SUNTORY LIMITED

  公开号：EP0322248A2

  公开（公告）日：1989-06-28

  Compounds having the formula (I): wherein A is -CH2-, -O-, or -S-; R1 is CH3 or OCH3; R2 is hydroxy or carboxy which may be optionally esterified or amidated; R3 is H or a lower alkyl; and n is 0 or an integer of 1 to 6, and pharmaceutically acceptable salts thereof, are disclosed. The compounds, and pharmaceutical compositions containing them, are used in therapy for cerebral insufficiency.

  具有式(I)的化合物： 其中 A 是-CH2-、-O-或-S-；R1 是 CH3 或 O ；R2 是羟基或羧基，可选择酯化或酰胺化；R3 是 H 或低级烷基；n 是 0 或 1 至 6 的整数。这些化合物和含有它们的药物组合物可用于治疗脑功能不全。
• NAKAO, TOHRU;TANAKA, HIROSHI;MORIMOTO, YASUTO;TAKEHARA, SHUZO;DEMIZU, KEN+, YAKUGAKU DZASSI , 110,(1990) N2, S. 922-931
  作者：NAKAO, TOHRU、TANAKA, HIROSHI、MORIMOTO, YASUTO、TAKEHARA, SHUZO、DEMIZU, KEN+

  DOI：——

  日期：——
• HAKAO, TATSU;KAVAGAMI, MAKOTO;MORINOTO, YASUXITO
  作者：HAKAO, TATSU、KAVAGAMI, MAKOTO、MORINOTO, YASUXITO

  DOI：——

  日期：——