phenelmethylenemalonaldehyde | 99058-84-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: phenelmethylenemalonaldehyde
• 英文别名: benzyl-malonaldehyde；2-Benzylpropanedial
• CAS: 99058-84-1
• 化学式: C₁₀H₁₀O₂
• 分子量: 162.188
• InChiKey: LLBYSZMATVZELL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  phenelmethylenemalonaldehyde 在 对甲苯磺酰叠氮 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 Triphenylphosphazino-β-phenyl-propionaldehyd
  参考文献：
  名称：

  Regitz,M.; Menz,F., Chemische Berichte, 1968, vol. 101, # 8, p. 2622 - 2632

  摘要：

  DOI：
• 作为产物：
  描述：

  α-Benzyl-β-dimethylamino-acrylaldehyd 在 sodium hydroxide 作用下， 生成 phenelmethylenemalonaldehyde
  参考文献：
  名称：

  Arnold; Sorm, Collection of Czechoslovak Chemical Communications, 1958, vol. 23, p. 452,455

  摘要：

  DOI：

文献信息

• BISPHOSPHONATE COMPOUNDS AND METHODS
  申请人：Oldfield Eric

  公开号：US20070275931A1

  公开（公告）日：2007-11-29

  The invention provides, inter alia, novel bisphosphonate compounds and methods of making and using. In embodiments, the invention provides compounds and methods in connection with research and therapeutic applications, e.g., for tumor cell growth inhibition, activation of gammadelta T cells, inhibition of farnesyldiphosphate (FPPS) and/or undecaprenyldiphosphate synthase enzymes, bone resorption diseases, cancer, immune disorders, immunotherapy, and infectious diseases. In regards to certain embodiments, a surprising advance has been the recognition that certain structural features can significantly enhance the activity of the compounds. For example, the presence of particular cationic species e.g., phosphonium, sulfonium, and arsonium moieties can contribute to desirable functional activity when positioned near a bisphosphonate moiety. In other embodiments of non-nitrogen containing bisphosphonates, terphenyl and benzyl bisphosphonate compounds and methods are provided. Further variations are also provided.

  本发明提供了新型双膦酸盐化合物及其制备和使用方法。在实施例中，本发明提供了与研究和治疗应用相关的化合物和方法，例如用于抑制肿瘤细胞生长、激活γδT细胞、抑制法尼酰二磷酸合酶（FPPS）和/或十一烷基二磷酸合酶酶、骨吸收疾病、癌症、免疫失调、免疫疗法和传染病。关于某些实施例，一个令人惊讶的进展是认识到某些结构特征可以显著增强化合物的活性。例如，特定阳离子物种的存在，例如磷酸铵、磺酸盐和砷酸盐基团，当位于双膦酸盐基团附近时，可以促进理想的功能活性。在另一些非氮双膦酸盐的实施例中，提供了苯并双膦酸盐化合物和方法。还提供了进一步的变化。
• Synthesis and study of novel fulleropyrrolidines bearing biologically active 1,4-dihydropyridines
  作者：Margarita Suárez、Yamila Verdecia、Beatriz Illescas、Roberto Martı́nez-Alvarez、Amaury Alvarez、Estael Ochoa、Carlos Seoane、Nour Kayali、Nazario Martı́n

  DOI：10.1016/j.tet.2003.09.047

  日期：2003.11

  New fulleropyrrolidines endowed with chlorine-containing biological active 1,4-dihydropyridines (1,4-DHPs) have been synthesised from the respective formyl substituted 1,4-DHPs by following Prato's procedure. The presence of the chlorine atom on C2 of the 1,4-DHP ring brings about important spectroscopical and structural differences in compounds 10a-f related to the parent hydrogen-containing 11a. The mass spectroscopy study reveals different fragmentation patterns for fulleropyrrolidines 10a-f and their precursors 1,4-DHPs, as well as with 11a. Semiempirical calculations (AMI and PM3) predict a most stable stereoisomer in all cases (RS for 10a-f) and the same RR for 11a. The presence of chlorine atom in 10a-f is responsible for the higher calculated conformational energy barriers in comparison with 11a. The geometry of:the 1,4-DHP shows that the presence of fullerene unit does not significantly alter the required conformation for biological activity. (C) 2003 Elsevier Ltd. All rights reserved.
• NEMATICIDAL COMPOSITIONS
  申请人：Devgen N.V.

  公开号：EP1835807A1

  公开（公告）日：2007-09-26
• US7666659B2
  申请人：——

  公开号：US7666659B2

  公开（公告）日：2010-02-23
• US7687482B2
  申请人：——

  公开号：US7687482B2

  公开（公告）日：2010-03-30