2,3-二氢-6-丙氧基-苯并吡喃-4-酮 | 105630-31-7

• 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: 2,3-二氢-6-丙氧基-苯并吡喃-4-酮
• 英文名称: 2,3-dihydro-6-propoxy-benzopyran-4-one
• 英文别名: 6-propoxy-3,4-dihydro-2H-1-benzopyran-4-one；6-propoxy-2,3-dihydrochromen-4-one
• CAS: 105630-31-7
• 化学式: C₁₂H₁₄O₃
• mdl: MFCD11207548
• 分子量: 206.241
• InChiKey: JUUODWWOWQQSAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 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：

  2,4-Imidazolidinedione, 1-amino-3-[3-(4-methyl-1-piperazinyl)propyl]- 、 2,3-二氢-6-丙氧基-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-(2,3-dihydro-6-propoxychromen-4-ylideneamino)-3-(3-(4-methylpiperazin-1-yl)propyl)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-(4-Propoxy-phenoxy)-but-2-yn-1-ol 在 air 作用下， 以 various solvent(s) 为溶剂， 反应 8.0h， 以40%的产率得到2,3-二氢-6-丙氧基-苯并吡喃-4-酮
  参考文献：
  名称：

  Unexpected formation of chroman-4-ones during the synthesis of 4-hydroxymethyl-2H-chromenes from 4-aryloxybut-2-yn-1-ols

  摘要：

  DOI：

  10.1016/s0040-4039(00)84443-3

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。
• CAMPS, P.;LLUCH, M. A.;CLIMENT, M. J.;MIRANDA, M. A., TETRAHEDRON LETT., 1986, 27, N 18, 2041-2042
  作者：CAMPS, P.、LLUCH, M. A.、CLIMENT, M. J.、MIRANDA, M. A.

  DOI：——

  日期：——
• US7772230B2
  申请人：——

  公开号：US7772230B2

  公开（公告）日：2010-08-10
• Unexpected formation of chroman-4-ones during the synthesis of 4-hydroxymethyl-2H-chromenes from 4-aryloxybut-2-yn-1-ols
  作者：P Camps、M.A Lluch、M.J Climent、M.A Miranda

  DOI：10.1016/s0040-4039(00)84443-3

  日期：1986.1
• Molecular hybridization, synthesis, and biological evaluation of novel chroman IKr and IKs dual blockers
  作者：Lupei Du、Minyong Li、Qian Yang、Yiqun Tang、Qidong You、Lin Xia

  DOI：10.1016/j.bmcl.2009.01.022

  日期：2009.3

  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.