methyl 3-(benzo[1,3]dioxol-5-yl)-2-methylpropanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: methyl 3-(benzo[1,3]dioxol-5-yl)-2-methylpropanoate
• 英文别名: Methyl 3-(1,3-benzodioxol-5-yl)-2-methylpropanoate
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: MBKLJBUBGPDWTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-benzodioxol-5-yl 在 三氢化钐 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以78%的产率得到methyl 3-(benzo[1,3]dioxol-5-yl)-2-methylpropanoate
  参考文献：
  名称：

  Sm/HOAc/EtOH System–Mediated Reduction of Baylis–Hillman Acetates

  摘要：

  Selective formation of (2E)-2-methylalk-2-enoates or 2-methyl alkanoates could be achieved in moderate to good yields under mild conditions via Sm/HOAc/EtOH system-mediated reduction of Baylis-Hillman acetates depending on the amount of samariurn consumed in the reactions.

  DOI：

  10.1080/00397910701577570

文献信息

• Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors
  申请人：——

  公开号：US20020010315A1

  公开（公告）日：2002-01-24

  The present invention relates to certain substituted oxadiazole peptoids and nonpeptoids useful as inhibitors of serine proteases, especially human neutophil elastase (HNE). Compounds of the present invention are useful for the treatment or amelioration of symptoms of adult respiratory distress syndrome, septic shock, and multiple organ failure. Processes mediated by HNE are also implicated in conditions such as arthritis, periodontal disease, glomerulonephritis, and cystic fibrosis.

  本发明涉及某些取代噁唑肽和非肽类化合物，其可用作丝氨酸蛋白酶抑制剂，特别是人类中性粒细胞弹性蛋白酶（HNE）的抑制剂。本发明化合物可用于治疗或缓解成人呼吸窘迫综合症、脓毒症休克和多器官衰竭的症状。由HNE介导的过程也与关节炎、牙周病、肾小球肾炎和囊性纤维化等疾病有关。
• Highly Regioselective Anti-Markovnikov Palladium-Borate-Catalyzed Methoxycarbonylation Reactions:  Unprecedented Results for Aryl Olefins
  作者：Tiago O. Vieira、Mike J. Green、Howard Alper

  DOI：10.1021/ol062646n

  日期：2006.12.1

  A general, highly efficient and regioselective methoxycarbonylation, by means of a palladium-salicylicborate-catalyzed protocol, of terminal alkyl and aryl olefins is described. The substrates include aliphatic alkenes, allylbenzenes, and styrene derivatives. The yields are very good (60-92%) and the regioselectivity, in favor of the linear ester, is up to quantitative-unprecedented in the case of styrenes.
• EP1089752A4
  申请人：——

  公开号：EP1089752A4

  公开（公告）日：2002-01-02
• ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS
  申请人：Cortech Inc.

  公开号：EP1089752A1

  公开（公告）日：2001-04-11
• US6001813A
  申请人：——

  公开号：US6001813A

  公开（公告）日：1999-12-14