(Z)-3-butylidene-4,5,6,7-tetrahydrophthalide | 111275-19-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异苯并呋喃
• 英文名称: (Z)-3-butylidene-4,5,6,7-tetrahydrophthalide
• 英文别名: 6,7-dihydrogustilide；3-Butyliden-4.5.6.7-tetrahydro-phthalid；Sedanonic acid lactone；(3Z)-3-butylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one
• CAS: 111275-19-5
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: YHOZXUUDDDOBKS-FLIBITNWSA-N

物化性质

• 沸点：
  351.8±11.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)
• 保留指数：
  1711

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,4,5,6-四氢苯酐 在 对甲苯磺酸 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 6.0h， 生成 (Z)-3-butylidene-4,5,6,7-tetrahydrophthalide
  参考文献：
  名称：

  Total Synthesis of 6,7—Dihydroligustilide

  摘要：

  A convenient, high yield total synthesis of 6, 7-dihydroligustilide(1) is described starting from phthalic acid.

  DOI：

  10.1080/00397919308009865

文献信息

• Ogawa, Yoshimitsu; Maruno, Masao; Wakamatsu, Takeshi, Heterocycles, 1995, vol. 41, # 11, p. 2587 - 2599
  作者：Ogawa, Yoshimitsu、Maruno, Masao、Wakamatsu, Takeshi

  DOI：——

  日期：——
• Total Synthesis of 6,7—Dihydroligustilide
  作者：Shaobai Li、Xiaoping Fang、Zhiwei Wang、Yating Yang、Yulin Li

  DOI：10.1080/00397919308009865

  日期：1993.7

  A convenient, high yield total synthesis of 6, 7-dihydroligustilide(1) is described starting from phthalic acid.
• YAMAMOTO, MAKOTO;URUMA, TAKASHI;KOHMOTO, SHIGEO;YAMADA, KAZUTOSHI, NIPPON KAGAKU KAJSI,(1989) N, S. 760-763
  作者：YAMAMOTO, MAKOTO、URUMA, TAKASHI、KOHMOTO, SHIGEO、YAMADA, KAZUTOSHI

  DOI：——

  日期：——
• Method For Improving The Oxygen-Releasing Ability Of Hemoglobin To Organs Or Peripheral Tissues In Human Bodies And A Medication Thereof
  申请人：NATIONAL SUN YAT-SEN UNIVERSITY

  公开号：US20170129866A1

  公开（公告）日：2017-05-11

  A method for improving the oxygen-releasing ability of hemoglobin, hemoglobin variants, recombinant hemoglobin or hemoglobin-based blood substitutes to organs or peripheral tissues in human bodies is disclosed by administering a compound of phthalides to a subject in need thereof. The compound of phthalides is characterized by a phthalide functional group which is represented as Formula I, and forms at least one hydrogen bond with αArg141 of hemoglobin, hemoglobin variants, recombinant hemoglobin or hemoglobin-based blood substitutes, stabilizing the α1/α2 interface of hemoglobin, further stabilizing the oxygenated hemoglobin, hemoglobin variants, recombinant hemoglobin or hemoglobin-based blood substitutes in the low oxygen affinity “T” state and facilitating the oxygen release to the organs or the peripheral tissues. A medication for improving the oxygen-releasing ability of hemoglobin, hemoglobin variants, recombinant hemoglobin, or hemoglobin-based blood substitutes to organs or peripheral tissues in human bodies is also disclosed.
• A Convenient Approach for Synthesis of (<i>Z</i>)-3-Butylidenephthalide Derivatives
  作者：Shaobai Li、Zhiwci Wang、Xiaoping Fang、Yating Yang、Yulin Li

  DOI：10.1080/00397919708004091

  日期：1997.5

  Thr reaction of n-BuI,i with phthalic anhydride derivatives leads to (Z)-3-butylidenephthalide derivatives.