(3S,3aS,7aR)-3-丁基-3a,4,5,7a-四氢-3H-2-苯并呋喃-1-酮 | 3674-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异苯并呋喃
• 中文名称: (3S,3aS,7aR)-3-丁基-3a,4,5,7a-四氢-3H-2-苯并呋喃-1-酮
• 中文别名: 川芎内酯A
• 英文名称: Cnidilide
• 英文别名: (3S,3aS,7aR)-3-butyl-3a,4,5,7a-tetrahydro-3H-2-benzofuran-1-one
• CAS: 3674-03-1
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.27
• InChiKey: UXDIXFDKSPCUIX-AXFHLTTASA-N

物化性质

• 沸点：
  320.2±21.0 °C(Predicted)
• 密度：
  1.011±0.06 g/cm3(Predicted)
• LogP：
  3.423 (est)
• 保留指数：
  1700

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932209090

反应信息

• 作为反应物：
  描述：

  (3S,3aS,7aR)-3-丁基-3a,4,5,7a-四氢-3H-2-苯并呋喃-1-酮 以88%的产率得到
  参考文献：
  名称：

  TANAKA, AKIRA;SUZUKI, HIDEAKI;YAMASHITA, KYOHEI, AGR. AND BIOL. CHEM., 53,(1989) N, C. 2253-2256

  摘要：

  DOI：
• 作为产物：
  描述：

  (E,S)-1-butyl-2,4-pentadienyl acrylate 以18%的产率得到
  参考文献：
  名称：

  TANAKA, AKIRA;SUZUKI, HIDEAKI;YAMASHITA, KYOHEI, AGR. AND BIOL. CHEM., 53,(1989) N, C. 2253-2256

  摘要：

  DOI：

文献信息

• TANAKA, AKIRA;SUZUKI, HIDEAKI;YAMASHITA, KYOHEI, AGR. AND BIOL. CHEM., 53,(1989) N, C. 2253-2256
  作者：TANAKA, AKIRA、SUZUKI, HIDEAKI、YAMASHITA, KYOHEI

  DOI：——

  日期：——
• SUZUKI, HIDEAKI;TANAKA, AKIRA;YAMASHITA, KYOHEI, AGR. AND BIOL. CHEM., 51,(1987) N 12, 3369-3373
  作者：SUZUKI, HIDEAKI、TANAKA, AKIRA、YAMASHITA, KYOHEI

  DOI：——

  日期：——
• USE OF PHTHALIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES MELLITUS
  申请人：DSM IP Assets B.V.

  公开号：EP1622605B1

  公开（公告）日：2009-07-15
• Use of phthalide derivatives for the treatment and prevention of diabetes mellitus
  申请人：D'Orazio Daniel

  公开号：US20070082947A1

  公开（公告）日：2007-04-12

  The present invention relates to the use of a compound as effective agent for the prevention or treatment of diabetes mellitus in a mammal. Said compounds being selected from the group of phthalide derivatives and exhibit excellent blood glucose lowering effects and thus are effective agents in the prevention or treatment of diabetes mellitus in mammals.
• ORGANIC COMPOUNDS FOR TREATMENT OF DISORDERS CONNECTED TO IMPAIRED NEUROTRANSMISSION
  申请人：De Saizieu Antoine

  公开号：US20100184852A1

  公开（公告）日：2010-07-22

  The present invention refers to compounds of the general formula (I) wherein R 1 is hydrogen or hydroxy; R 2 is butyl or butyryl if R 1 is hydroxy, but R 2 is butyl if R 1 is hydrogen; or R 3 and R 2 taken together are 1-propylidene or 1-butylidene optionally substituted by hydroxy, methyl, or 3-(α, β-dimethylacryloyloxy); the dotted line is an optional bond; X is an optionally substituted aliphatic C4-residue selected from the group consisting of X1, X2, X3, X4, and X5; wherein X is X2, X3 or X5 if the dotted line in formula (I) is absent; and X is X1, X4 or X5 if the dotted line signifies a bond in formula (I) above; R 3 and R 4 are, independently from each other, hydrogen or hydroxy; and R 5 is hydroxy or butyryl, for use in the treatment of disorders connected to impaired neurotransmission, as well as to dietary and pharmaceutical compositions containing such compounds, and their uses.