(Z)-3-(亚异丁基)苯酞 | 56014-87-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 中文名称: (Z)-3-(亚异丁基)苯酞
• 英文名称: (Z)-3-(2-methylpropylidene)phthalide
• 英文别名: (Z)-3-isobutylidenephthalide；(Z)-3-(2-Methylpropyliden)-phthalid；1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-；(3Z)-3-(2-methylpropylidene)-2-benzofuran-1-one
• CAS: 56014-87-0
• 化学式: C₁₂H₁₂O₂
• 分子量: 188.226
• InChiKey: LYSNVWBBICAAMS-XFFZJAGNSA-N

物化性质

• 沸点：
  304.7±35.0 °C(Predicted)
• 密度：
  1.201±0.06 g/cm3(Predicted)
• 保留指数：
  2543;2563

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  1-(2-羟基苯基)-3-甲基丁烷-1-酮 在 palladium diacetate 、 1,3-双(二苯基膦)丙烷 2,6-二叔丁基-4-甲基吡啶 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 (Z)-3-(亚异丁基)苯酞
  参考文献：
  名称：

  A new synthesis of 3-ylidenephthalides via palladium-catalyzed cyclocarbonylation of 2-triflyloxyacetophenones

  摘要：

  The reaction of 2-triflyloxyacetophenone derivatives 1 with carbon monoxide in the presence of a palladium catalyst affords 3-ylidenephthalides 2 in good yields and under mild conditions.

  DOI：

  10.1016/s0040-4039(00)79222-7

文献信息

• Watanabe, Mitsuaki; Ijichi, Saori; Morimoto, Hitoshi, Heterocycles, 1993, vol. 36, # 3, p. 553 - 563
  作者：Watanabe, Mitsuaki、Ijichi, Saori、Morimoto, Hitoshi、Nogami, Kayoko、Furukawa, Sunao

  DOI：——

  日期：——
• Mali; Patil; Kulkarni, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 4, p. 319 - 321
  作者：Mali、Patil、Kulkarni、Yeola

  DOI：——

  日期：——
• MALI, R. S.;PATIL, S. R.;KULKARNI, B. K.;YEOLA, S. N., INDIAN J. CHEM. B , 29,(1990) N, C. 319-321
  作者：MALI, R. S.、PATIL, S. R.、KULKARNI, B. K.、YEOLA, S. N.

  DOI：——

  日期：——
• [EN] COMPOSITION AND METHOD FOR THE TREATMENT OR PREVENTION OF IL-1 MEDIATED DISORDERS<br/>[FR] COMPOSITION ET METHODES PERMETTANT LE TRAITEMENT OU LA PREVENTION DES TROUBLES INDUITS PAR IL1
  申请人：NUTRICIA NV

  公开号：WO2003082310A1

  公开（公告）日：2003-10-09

  One aspect of the present invention relates to a composition comprising a. celery material b. an isolate from vegetable oil enriched in unsaponifiables and c. optionally a pharmaceutically acceptable carrier. The present composition is particularly suitable for use in a method for the prophylactic and/or curative treatment of interleukin-1 mediated diseases, in particular for the treatment or prevention of damage to the connective tissue and for reducing inflammation and inflammation associated complaints. Thus, another aspect of the invention concerns a method for the curative or prophylactic treatment of interleukin-1 mediated disorders in mammals, said method comprising the enteral, topical or transdermal administration to a mammal of the aforementioned composition.
• A new synthesis of 3-ylidenephthalides via palladium-catalyzed cyclocarbonylation of 2-triflyloxyacetophenones
  作者：Pier Giuseppe Ciattini、Gaia Mastropietro、Enrico Morera、Giorgio Ortar

  DOI：10.1016/s0040-4039(00)79222-7

  日期：1993.6

  The reaction of 2-triflyloxyacetophenone derivatives 1 with carbon monoxide in the presence of a palladium catalyst affords 3-ylidenephthalides 2 in good yields and under mild conditions.