6-乙氧基-2,3-二氢-4H-1-苯并吡喃-4-酮 | 176431-77-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 6-乙氧基-2,3-二氢-4H-1-苯并吡喃-4-酮
• 英文名称: 6-ethoxy-2,3-dihydro-4H-1-benzopyran-4-one
• 英文别名: 6-ethoxy-chroman-4-one；6-Aethoxy-chroman-4-on；6-ethoxy-4-chromanone；2,3-dihydro-6-oxethyl-benzopyran-4-one；6-ethoxy-3,4-dihydro-2H-1-benzopyran-4-one；6-ethoxy-2,3-dihydrochromen-4-one
• CAS: 176431-77-9
• 化学式: C₁₁H₁₂O₃
• mdl: MFCD11205096
• 分子量: 192.214
• InChiKey: YZTKUWPOHQJLDT-UHFFFAOYSA-N

物化性质

• 熔点：
  63-65 °C
• 沸点：
  330.4±41.0 °C(Predicted)
• 密度：
  1.169±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-amino-3-[4-(4-methyl-1-piperazidine)butyl]-2,4-imidazoledione 、 6-乙氧基-2,3-二氢-4H-1-苯并吡喃-4-酮 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 4.5h， 生成 1-(6-ethoxy-2,3-dihydrochromen-4-ylideneamino)-3-(4-(4-methylpiperazin-1-yl)butyl)imidazolidine-2,4-dione
  参考文献：
  名称：

  Molecular hybridization, synthesis, and biological evaluation of novel chroman IKr and IKs dual blockers

  摘要：

  The combination of I-Kr and I-Ks blockade could lead to synergistic and safe class III anti-arrhythmic effect with the enhanced efficacy and reduced risk. On the rationale of structural hybridization of azimilide and HMR-1556, a novel series of IKr and IKs dual blockers were designed, synthesized and evaluated in vitro. One compound, 3r (CPUY11018), deserves further evaluation for its potent anti-arrhythmic activity and favorable cardiovascular profile. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.022
• 作为产物：
  描述：

  4-乙氧基苯酚 在 盐酸 、 sodium 作用下， 以 水 、 甲苯 为溶剂， 反应 0.33h， 生成 6-乙氧基-2,3-二氢-4H-1-苯并吡喃-4-酮
  参考文献：
  名称：

  酸活化蒙脱石K-10介导的分子内酰化：简单方便地合成4-色满酮

  摘要：

  3-芳氧基丙酸在 AA.Mont.K-10 的存在下在甲苯中回流 30-45 分钟，以良好到极好的产率进行分子内环化。在邻位、间位、对位带有各种取代基的苯基环会发生这种环化反应。该方法涉及简单的后处理，适用于大规模制备。经多相酸处理的催化剂可以再生并最多使用三个循环，而活性损失最小。

  DOI：

  10.1016/j.tetlet.2021.153372

文献信息

• Chroman Compound, Processes for Its Preparation, and Its Pharmaceutical Use
  申请人：You Qidong

  公开号：US20080103307A1

  公开（公告）日：2008-05-01

  The present invention provided a chroman compound, the method of its preparation and pharmaceutical applications. The compound are represented by formula (I) and its pharmaceutical salt, where in :x is for O or S; n is for 2, 3 or 4; R 1 is 6-situ or 7-situ halogen, C 1-4 alkyl, C 1-4 alkyoxyl, benzyloxy, acylamino; R 2 is nitrogen-containing pentatomic or hexahydric substituted heterocyclic ring. The compound is useful to prepare anti-arrhythmic drugs, the reaction conditions of the method are mild, the raw material are plenty and easy to be obtained, and the operation and post-treatment are simple.

  本发明提供了一种色酮化合物、其制备方法和药物应用。该化合物由公式(I)及其药物盐表示，其中：x代表O或S；n代表2、3或4；R1为6-位或7-位卤素、C1-4烷基、C1-4烷氧基、苄氧基、酰胺基；R2为含氮的五元或六元取代杂环。该化合物可用于制备抗心律失常药物，制备方法反应条件温和，原料丰富且易得，操作和后处理简单。
• 1,2-Dithiole derivatives and therapeutic agents containing them
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0641792A1

  公开（公告）日：1995-03-08

  Novel 1,2-dithiole-3-thione derivatives represented by general formulas (1) and (11); processes for production thereof; and therapeutic or preventive agents for diseases associated with peroxylipid, each containing said derivative as the active ingredient.

  由一般式（1）和（11）代表的新型1,2-二硫代-3-硫酮衍生物；其生产方法；以及作为活性成分含有该衍生物的与过氧脂类相关疾病的治疗或预防剂。
• Polybutadiene composition
  申请人：——

  公开号：US20030153655A1

  公开（公告）日：2003-08-14

  There are disclosed a polybutadiene composition comprising: a polybutadiene type polymer, and at least one compound selected from a compound of formula (I-1): 1 or a compound of formula (1-2): 2 wherein R 11 to R 28 are the same or different and independently represent a hydrogen atom, an alkyl group, or the like; or a compound of formula (II): 3 wherein R 1 to R 10 independently represent a hydrogen atom, an alkyl group, or the like; or a styrene-butadiene copolymer, and a benzoin compound; and an article molded therefrom, and processes for producing the composition and the molded article.

  公开了一种聚丁二烯组合物，其中包括 聚丁二烯类聚合物，以及 至少一种选自以下物质的化合物 式(I-1)化合物： 1 或式(1-2)化合物： 2 其中 R 11 至 R 28 相同或不同，且各自代表氢原子、烷基或类似物；或 式 (II) 的化合物： 3 其中 R 1 至 R 10 分别代表氢原子、烷基或类似物；或 苯乙烯-丁二烯共聚物和安息香化合物；以及由其模塑的制品，以及生产该组合物和模塑制品的工艺。
• Amebacidal Chromanones
  作者：Paul F. Wiley

  DOI：10.1021/ja01153a048

  日期：1951.9
• EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS
  申请人：Bosmans Jean-Paul R.M.A.

  公开号：US20100280025A1

  公开（公告）日：2010-11-04

  The present invention is related to novel compounds of formula (I) having equilibrative nucleoside transporter ENT1 inhibiting properties, pharmaceutical compositions comprising these compounds, chemical processes for preparing these compounds and their use in the treatment of diseases linked to the inhibition of ENT1 receptors in animals, in particular humans.