2-(2,3-二氢苯并[B][1,4]二噁己环-2-基)乙酸 | 18505-92-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 中文名称: 2-(2,3-二氢苯并[B][1,4]二噁己环-2-基)乙酸
• 英文名称: 2-Carboxymethyl-2,3-dihydro-1,4-benzodioxin
• 英文别名: 1,4-Benzodioxan-essigsaeure-(2)；(2,3-dihydro-benzo[1,4]dioxin-2-yl)-acetic acid；(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-essigsaeure；2,3-dihydro-1,4-benzodioxin-2-ylacetic acid；(1,4-benzodioxan-2yl)acetic acid；1,4-benzodioxanacetic acid；2-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)acetic acid；2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetic acid
• CAS: 18505-92-5
• 化学式: C₁₀H₁₀O₄
• mdl: MFCD04061755
• 分子量: 194.187
• InChiKey: NPEFMXMRSFIHKN-UHFFFAOYSA-N

物化性质

• 沸点：
  363.7±21.0 °C(Predicted)
• 密度：
  1.289±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2,3-二氢苯并[B][1,4]二噁己环-2-基)乙酸 、 lithium aluminium tetrahydride 以 四氢呋喃 、 水 为溶剂， 生成 1-hydroxyethyl-1,4-benzodioxane
  参考文献：
  名称：

  Antihypertensive cyanoguanidines

  摘要：

  这项发明涉及与哌啶环相连的新型三取代胍啉。更具体地说，它涉及式I的氰胍啉##STR1##其中R.sub.1、R.sub.2、R.sub.3、R.sub.4是取代基，n是0到1的整数，n'是0到1的整数，A和B是--CH.sub.2 --、CHOH、--CO--或单键，以及它们与矿物酸或有机酸的酸盐。这些化合物具有有趣的药理特性，使它们可用作药物的活性成分，例如抗高血压药。

  公开号：

  US04579845A1
• 作为产物：
  描述：

  (2,3-二氢苯并[1,4]二恶烷-2-基)乙腈 在 sodium hydroxide 作用下， 反应 12.0h， 以54%的产率得到2-(2,3-二氢苯并[B][1,4]二噁己环-2-基)乙酸
  参考文献：
  名称：

  Synthesis and biological activity of new anti-inflammatory compounds containing the 1,4-benzodioxine and/or pyrrole system

  摘要：

  A series of substituted derivatives containing the 1,4-benzodioxine or pyrrole nucleus are described. All the newly synthesized compounds were examined for their in vitro and in vivo anti-inflammatory activity. Several derivatives, including (S)-2, 14 and 17, showed more anti-inflammatory activity in vivo in these assays (rat paw oedema induced by carrageenan) than the known classical anti-inflammatory agent ibuprofen, whereas other compounds like 1 were equipotent to ibuprofen. Compound 17 was the most outstanding derivative because of its remarkable in vivo anti-inflammatory activity. In this paper, we examine and discuss the structure-activity relationships and anti-inflammatory activities of these compounds. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.04.050

文献信息

• Antihypertensive cyanoguanidines
  申请人：Bouchara S.A.

  公开号：US04579845A1

  公开（公告）日：1986-04-01

  This invention relates to novel tri-substituted guanidines linked to a piperidine ring. More specifically, it relates to cyanoguanidines of formula I ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4 are substituents n is an integer of zero to 1 n' is an integer of zero to 1 A and B are --CH.sub.2 --, CHOH, --CO-- or a single bond as well as the acid addition salts thereof with a mineral or organic acid. The compounds have interesting pharmacological properties which make them useful as active ingredient of medicines, e.g. antihypertensives.

  这项发明涉及与哌啶环相连的新型三取代胍啉。更具体地说，它涉及式I的氰胍啉##STR1##其中R.sub.1、R.sub.2、R.sub.3、R.sub.4是取代基，n是0到1的整数，n'是0到1的整数，A和B是--CH.sub.2 --、CHOH、--CO--或单键，以及它们与矿物酸或有机酸的酸盐。这些化合物具有有趣的药理特性，使它们可用作药物的活性成分，例如抗高血压药。
• 2-Piperidinoalkyl-1,4-benzodioxans
  申请人：Ciba-Geigy Corporation

  公开号：US04039676A1

  公开（公告）日：1977-08-02

  2-Piperidinoalkyl-1,4 benzodioxans, e.g. those of the formula ##STR1## AND ACID ADDITION SALTS THEREOF ARE NEUROLEPTIC AGENTS.

  2-哌啶基烷基-1,4-苯并二噁烷，例如式##STR1##及其酸盐是神经阻滞剂。
• Neuroleptic 2-piperidinoalkyl-1,4-benzodioxans
  申请人：Ciba-Geigy Corporation

  公开号：US04129655A1

  公开（公告）日：1978-12-12

  2-Piperidinoalkyl-1,4-benzodioxans, e.g. those of the formula ##STR1## and acid addition salts thereof are neuroleptic agents.

  2-哌啶基烷基-1,4-苯并二氧杂环己烷，例如式##STR1##及其酸盐是神经阻滞剂。
• Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions
  申请人：FRANK Robert

  公开号：US20090156590A1

  公开（公告）日：2009-06-18

  Vanilloid receptor ligand compounds corresponding to formula I: pharmaceutical compositions containing such compounds, a process for producing such compounds, and methods of using such compounds for treating or inhibiting pain and various other disorders or conditions.

  与公式I相对应的辣椒素受体配体化合物：含有这种化合物的药物组合物，生产这种化合物的方法，以及使用这种化合物治疗或抑制疼痛和各种其他疾病或症状的方法。
• 2,2-Disubstituted 2,3-dihydro-1,4-benzodioxin derivatives having hypotensive activity
  申请人：ISTITUTO LUSO FARMACO D'ITALIA S.p.A.

  公开号：EP0367888A1

  公开（公告）日：1990-05-16

  2,2-Disubstituted 2,3-dihydro-1,4-benzodioxin de­rivatives of formula (I): and pharmaceutically acceptable salts thereof having in vitro high affinity and selectivity for α₁ receptors and in vivo good and long lasting hypotensive activity, with negligeable side-effects; processes for the preparation thereof and pharmaceutical compositions therefrom.

  公式（I）的2,2-二取代2,3-二氢-1,4-苯并二氧杂环己烷衍生物及其药学上可接受的盐具有体外对α₁受体的高亲和力和选择性以及体内良好且持久的降压活性，且副作用可忽略；其制备方法以及由此制备的药物组合物。