Benzo[b]thiophene-2-carboxylic acid,3-ethoxy-5-methoxy | 104795-72-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: Benzo[b]thiophene-2-carboxylic acid,3-ethoxy-5-methoxy
• 英文别名: 3-ethoxy-5-methoxybenzothiophen-2-carboxylic acid；Benzo[b]thiophene-2-carboxylic acid, 3-ethoxy-5-methoxy-；3-Ethoxy-5-methoxy-1-benzothiophene-2-carboxylic acid
• CAS: 104795-72-4
• 化学式: C₁₂H₁₂O₄S
• 分子量: 252.291
• InChiKey: ACEJHHHTZZPCSK-UHFFFAOYSA-N

物化性质

• 沸点：
  436.8±40.0 °C(Predicted)
• 密度：
  1.327±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  84
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Benzo[b]thiophene-2-carboxylic acid,3-ethoxy-5-methoxy 、 5-氨基四氮唑 在 N,N'-羰基二咪唑 作用下， 生成 Benzo[b]thiophene-2-carboxamide, 3-ethoxy-5-methoxy-N-1H-tetrazol-5-yl-
  参考文献：
  名称：

  Novel benzothiophene-, benzofuran-, and naphthalenecarboxamidotetrazoles as potential antiallergy agents

  摘要：

  The synthesis and antiallergic activity of a series of novel benzothiophene-, benzofuran-, and naphthalenecarbox-amidotetrazoles are described. A number of the compounds inhibit the release of histamine from anti-IgE stimulated basophils obtained from allergic donors. Optimal inhibition is exhibited in benzothiophenes with a 3-alkoxy substituent in combination with a 5-methoxy, 6-methoxy, or a 5,6-dimethoxy group. Compounds 13c (CI-959) also inhibited respiratory burst of human neutrophils and the release of mediators from anti-IgE-stimulated human chopped lung.

  DOI：

  10.1021/jm00083a023
• 作为产物：
  描述：

  2-疏基-5-甲氧基苯甲酸甲酯 在 氢氧化钾 、 potassium tert-butylate 、 potassium hydrogencarbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 34.75h， 生成 Benzo[b]thiophene-2-carboxylic acid,3-ethoxy-5-methoxy
  参考文献：
  名称：

  Novel benzothiophene-, benzofuran-, and naphthalenecarboxamidotetrazoles as potential antiallergy agents

  摘要：

  The synthesis and antiallergic activity of a series of novel benzothiophene-, benzofuran-, and naphthalenecarbox-amidotetrazoles are described. A number of the compounds inhibit the release of histamine from anti-IgE stimulated basophils obtained from allergic donors. Optimal inhibition is exhibited in benzothiophenes with a 3-alkoxy substituent in combination with a 5-methoxy, 6-methoxy, or a 5,6-dimethoxy group. Compounds 13c (CI-959) also inhibited respiratory burst of human neutrophils and the release of mediators from anti-IgE-stimulated human chopped lung.

  DOI：

  10.1021/jm00083a023

文献信息

• 1,2-dioxetane derivative
  申请人：FUJIREBIO INC.

  公开号：EP0943618A2

  公开（公告）日：1999-09-22

  The present invention has its objects to provide a compound not only which is easy to handle, thermally stable, and high in emission efficiency, but also which can show high emission efficiency without coexisting enhancer in the system even in a protic solvent. The present invention is related to a 1,2-dioxetane derivative of general formula (I). [wherein R1, R2, R3, R4 and R5 each independently represents hydrogen, alkyl or aryl; a pair of R2 and R3 and a pair of R4 and R5 may respectively be joined to each other to form a cycloalkyl group.

  本发明的目的是提供一种不仅易于处理、热稳定性好、发射效率高，而且即使在质子溶剂中也能在体系中不共存增强剂的情况下显示出高发射效率的化合物。 本发明涉及通式（I）的 1，2-二氧杂环丁烷衍生物。 [其中 R1、R2、R3、R4 和 R5 各自独立地代表氢、烷基或芳基；一对 R2 和 R3 以及一对 R4 和 R5 可分别相互连接形成环烷基。
• CONNOR, DAVID T.;CETENKO, WIACZESLAW A.;UNANGST, PAUL C.;JOHNSON, ELIZABE+
  作者：CONNOR, DAVID T.、CETENKO, WIACZESLAW A.、UNANGST, PAUL C.、JOHNSON, ELIZABE+

  DOI：——

  日期：——
• US6218135B1
  申请人：——

  公开号：US6218135B1

  公开（公告）日：2001-04-17
• Novel benzothiophene-, benzofuran-, and naphthalenecarboxamidotetrazoles as potential antiallergy agents
  作者：David T. Connor、Wiaczeslaw A. Cetenko、Michael D. Mullican、Roderick J. Sorenson、Paul C. Unangst、Robert J. Weikert、Richard L. Adolphson、John A. Kennedy、David O. Thueson

  DOI：10.1021/jm00083a023

  日期：1992.3

  The synthesis and antiallergic activity of a series of novel benzothiophene-, benzofuran-, and naphthalenecarbox-amidotetrazoles are described. A number of the compounds inhibit the release of histamine from anti-IgE stimulated basophils obtained from allergic donors. Optimal inhibition is exhibited in benzothiophenes with a 3-alkoxy substituent in combination with a 5-methoxy, 6-methoxy, or a 5,6-dimethoxy group. Compounds 13c (CI-959) also inhibited respiratory burst of human neutrophils and the release of mediators from anti-IgE-stimulated human chopped lung.