苯酞-6-羧酸 | 4743-61-7

• 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: 苯酞-6-羧酸
• 英文名称: 3-Oxo-1,3-dihydro-isobenzofuran-5-carboxylic acid
• 英文别名: Phthalide-6-carboxylic acid；3-oxo-1H-2-benzofuran-5-carboxylic acid
• CAS: 4743-61-7
• 化学式: C₉H₆O₄
• 分子量: 178.144
• InChiKey: VUBKPUVOSWVXMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-溴甲基异酞酸二甲酯 在 水 作用下， 以 1,4-二氧六环 为溶剂， 生成 苯酞-6-羧酸
  参考文献：
  名称：

  Intramolecular nucleophilic participation. VI. Forced carbomethoxy group participation in the solvolysis of 1-(2,6-dicarbomethoxyphenyl)ethyl bromide

  摘要：

  DOI：

  10.1021/ja01015a033

文献信息

• [EN] METHOD FOR THE PREPARATION OF 5-CARBOXYPHTHALIDE<br/>[FR] METHODE DE PREPARATION DE 5-CARBOXYPHTALIDE
  申请人：LUNDBECK & CO AS H

  公开号：WO2001032643A1

  公开（公告）日：2001-05-10

  By a method comprising reaction of terephthalic acid (formula (II)) with trioxane or paraformaldehyde in the presence of a Lewis acid or a mineral acid, 5-carboxyphthalide is obtained with very high purity and in high yields at mild reaction conditions.

  通过在路易斯酸或矿酸的存在下，将对苯二甲酸（式（II））与三氧六环或多聚甲醛反应，可以在温和的反应条件下高产高纯度地得到5-羧基邻苯二甲酸内酯。
• 2-Carboxy-(7-,8- and 9-substituted)-5-oxo-5H-dibenzo (a,d) cycloheptenes
  申请人：Syntex (U.S.A.) Inc.

  公开号：US04041173A1

  公开（公告）日：1977-08-09

  A compound selected from the group of compounds represented by the formula ##STR1## R is hydrogen, alkyl having 1 to 12 carbon atoms, or ##STR2## where n is an integer of 2 to 4 inclusive and R.sup.4 and R.sup.5 are independently lower alkyl of 1 to 6 carbon atoms inclusive or together R.sup.4 and R.sup.5 and the nitrogen atom to which they are attached form a heterocyclic ring having 5 to 6 total ring atoms; R.sup.1 is at the 7, 8 or 9 position and is halogen, hydroxy, lower alkoxy of 1 to 6 carbon atoms inclusive, or lower alkyl of 1 to 4 carbons atoms, inclusive; The dotted lines may be an additional, optional bond between the carbon atoms at the 10- and 11 positions; and The pharmaceutically acceptable salts thereof. The compounds are used pharmaceutically to treat allergic reactions and autoimmune diseases.

  从以下公式所代表的化合物组中选择一种化合物：##STR1## 其中R是氢、具有1到12个碳原子的烷基或者##STR2## 其中n是2到4之间的整数，R.sup.4和R.sup.5分别是包括1到6个碳原子的低烷基，或者R.sup.4和R.sup.5一起，以及它们附着的氮原子形成具有5到6个总环原子的杂环环；R.sup.1位于7、8或9位置，是卤素、羟基、包括1到6个碳原子的低烷氧基或包括1到4个碳原子的低烷基；虚线可以是10-和11-位置碳原子之间的额外可选键；以及其药学上可接受的盐。这些化合物在药学上用于治疗过敏反应和自身免疫性疾病。
• Method for the preparation of 5-carboxyphthalide
  申请人：H. Lundbeck A/S

  公开号：US20020165403A1

  公开（公告）日：2002-11-07

  5-carboxyphthalide is obtained with very high purity and in high yields by a convenient process comprising reaction of terephthalic acid 1 with paraformaldehyde HO(CH 2 ) n H in oleum.

  通过一种方便的方法，将苯二甲酸1与多聚甲醛HO(CH2)nH在油酸中反应，可以高纯度高收率地获得5-羧基邻苯二甲酸酯。
• Pyridylethylaminofluorans
  申请人：STERLING DRUG INC.

  公开号：EP0110366A2

  公开（公告）日：1984-06-13

  2- and/or 6-pyridylethylamino-substituted fluorans useful as color formers, particularly in pressure-sensitive carbonless duplicating systems and thermal-responsive marking systems are prepared by the interaction of (pyridylethylaminophe- nyl)carbonylbenzoic acids with 4-hydroxy- or alkoxyanilines or by the interaction of (disubstituted aminophenyl)carbonylben- zoic acids with N-pyridylethyl-4-hydroxy- or alkoxy acetanilides. The (pyridylethylaminophenyl)carbonylbenzoic acid intermediates required for the fluorans are prepared by interacting a N-pyridylethyl-3-hydroxyaniline with a substituted or unsubstituted phthalic anhydride. The N-pyridylethyl-4-hydroxy-or alkoxyanilines and the N-pyridylethyl-3-hydroxyanilines are prepared by interacting the respective aniline with a vinylpyridine.

  2- 和/或 6-吡啶乙氨基取代的荧烷可用作显色剂，特别是在压敏无碳复写系统和热敏打标系统中，其制备方法是(吡啶乙氨基苯基)羰基苯甲酸与 4-羟基或烷氧基苯胺作用，或(二取代氨基苯基)羰基苯甲酸与 N-吡啶乙基-4-羟基或烷氧基乙酰苯胺作用。通过 N-吡啶乙基-3-羟基苯胺与取代或未取代的邻苯二甲酸酐相互作用，制备出氟化合物所需的(吡啶乙基氨基苯基)羰基苯甲酸中间体。N-吡啶乙基-4-羟基或烷氧基苯胺和 N-吡啶乙基-3-羟基苯胺是通过各自的苯胺与乙烯基吡啶作用制备的。
• PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN
  申请人：Ciba Specialty Chemicals Holding Inc.

  公开号：EP1107972B1

  公开（公告）日：2003-01-02