(2-氨基-4-氧代-3,4,7,8-四氢-6-蝶啶基)甲基三氢二磷酸酯 | 3658-94-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (2-氨基-4-氧代-3,4,7,8-四氢-6-蝶啶基)甲基三氢二磷酸酯
• 中文别名: 1,1-二乙氧基-2-甲基丁烷
• 英文名称: 1,1-diethoxy-2-methylbutane
• 英文别名: 2-methylbutyraldehyde diethyl acetal
• CAS: 3658-94-4
• 化学式: C₉H₂₀O₂
• 分子量: 160.257
• InChiKey: PAPSQZAQCBGYCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  162.0±8.0 °C(Predicted)
• 密度：
  0.840±0.06 g/cm3(Predicted)
• LogP：
  2.555 (est)
• 保留指数：
  953

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2-氨基-4-氧代-3,4,7,8-四氢-6-蝶啶基)甲基三氢二磷酸酯 在 钌 氢气 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 碘甲烷 作用下， 以 甲醇 为溶剂， 生成 3-Methoxycarbonylamino-2,4-dimethyl-hexanoic acid methyl ester
  参考文献：
  名称：

  Ru(II)或Rh(I)配合物催化2-[α-(甲氧基羰基氨基)苄基]丙烯酸甲酯的非对映选择性氢化

  摘要：

  使用具有优异抗选择性的 Ru(II)- 或 Rh(I)-膦催化剂前体制备并氢化标题化合物，结果表明连接基团 NHCO2Me 可将氢加成到烯烃非对映体上靠近结合催化剂的这个基团。

  DOI：

  10.1246/bcsj.61.319
• 作为产物：
  描述：

  二乙基苯基甲烷 、 sec-BuMgBr 以 四氢呋喃 为溶剂， 反应 0.5h， 以36%的产率得到(2-氨基-4-氧代-3,4,7,8-四氢-6-蝶啶基)甲基三氢二磷酸酯
  参考文献：
  名称：

  Houghton, Roy P.; Morgan, Alan D., Journal of the Chemical Society. Perkin transactions I, 1980, p. 756 - 758

  摘要：

  DOI：

文献信息

• Living and Alternating Cationic Copolymerization of <i>o</i>-Phthalaldehyde and Various Bulky Enol Ethers: Elucidation of the “Limit” of Polymerizable Monomers
  作者：Keisuke Hayashi、Arihiro Kanazawa、Sadahito Aoshima

  DOI：10.1021/acs.macromol.1c02398

  日期：2022.2.22

  Cationic copolymerization of various bulky enol ethers, which have been difficult to homopolymerize and/or copolymerize, was shown to proceed when o-phthalaldehyde (OPA) was used as a comonomer. A series of enol ethers with various substituents on the β-carbon was synthesized from aliphatic aldehydes and alcohols. The relationships between the structures of the enol ethers and the copolymerization

  各种大体积的烯醇醚的阳离子共聚，它们一直难以均聚和/或共聚，表明当o-苯二甲醛（OPA）用作共聚单体。以脂肪醛和脂肪醇为原料，合成了一系列在β-碳上具有不同取代基的烯醇醚。系统研究了烯醇醚结构与共聚行为的关系。结果，发现在 β-碳上具有一个或两个甲基和/或伯烷基的单体与 OPA 进行交替共聚。此外，烯醇醚和OPA的活性阳离子共聚在适当的聚合条件下产生交替共聚物。为了阐明可聚合单体的限制，非常庞大的烯醇醚如 β- t的共聚还检查了具有 OPA 的 -丁基或降冰片亚基型单体。发现 OPA 即使与如此庞大的单体也可共聚，这表明 OPA 衍生的增长碳正离子具有较小的空间位阻的独特反应性是成功共聚的关键因素。
• Quantitation, Organoleptic Contribution, and Potential Origin of Diethyl Acetals Formed from Various Aldehydes in Cognac
  作者：Fannie Thibaud、Svitlana Shinkaruk、Philippe Darriet

  DOI：10.1021/acs.jafc.9b01084

  日期：2019.3.6

  especially that produced during aging, is marked by complex and elegant aroma. This work aimed at expanding the knowledge on the Cognac WD aroma by a sensory-guided approach, involving a fractional-distillation technique and gas chromatography coupled to olfactometry and mass spectrometry (GC-O-MS). In doing so, a fruity-odor zone was highlighted in WD extracts that was attributed to the diethyl acetal

  干邑酒馏分（WD），特别是陈酿过程中产生的，具有复杂而优雅的香气。这项工作旨在通过感官指导方法扩大对干邑白兰地香气的了解，其中包括分馏技术和气相色谱法，再结合嗅觉和质谱分析法（GC-O-MS）。这样做的结果是，WD提取物中的果味带突出了，这归因于二乙缩醛家族。通过GC-MS检测到另外十种二乙缩醛。接下来，开发了一种测定方法，并针对其中的七种二乙缩醛进行了验证。在水/乙醇（60:40，v / v）的模型溶液中评估了它们的检测阈值。1，1-二乙氧基-3-甲基丁烷显示出明显的感官影响，因为其嗅觉检测阈值（323μg/ L）低于其在WD中的浓度范围（461至3337μg/ L）。鉴于二乙缩醛是乙醇与醛之间的反应产生的，则应考虑二乙缩醛与相应醛之间的定量相关性。
• COMPOUNDS
  申请人：GORE Martin Paul

  公开号：US20080039444A1

  公开（公告）日：2008-02-14

  The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various disorders, such as allergic rhinitis.

  本发明涉及式(I)化合物及其盐，其制备过程，含有它们的组合物以及它们在治疗各种疾病（如过敏性鼻炎）中的用途。
• 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists
  申请人：Gore Paul Martin

  公开号：US20090105225A1

  公开（公告）日：2009-04-23

  The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various disorders, such as allergic rhinitis.

  本发明涉及公式(I)的化合物及其盐，其制备方法，含有它们的组合物以及它们在治疗各种疾病，如过敏性鼻炎中的应用。
• Characterization of Aroma Compounds of Chinese “Wuliangye” and “Jiannanchun” Liquors by Aroma Extract Dilution Analysis
  作者：Wenlai Fan、Michael C. Qian

  DOI：10.1021/jf052635t

  日期：2006.4.1

  Aroma compounds in Chinese "Wuliangye" liquor were identified by gas chromatography-olfactometry (GC-O) after fractionation. A total of 132 odorants were detected by GC-O in Wuliangye liquor on DB-wax and DB-5 columns. Of these, 126 aromas were identified by GC-mass spectrometry (MS). Aroma extract dilution analysis (AEDA) was further employed to identify the most important aroma compounds in "Wuliangye" and "Jiannanchun" liquors. The results showed that esters could be the most important class, especially ethyl esters. Various alcohols, aldehydes, acetals, alkylpyrazines, furan derivatives, lactones, and sulfur-containing and phenolic compounds were also found to be important. On the basis of flavor dilution (FD) values, the most important aroma compounds in Wuliangye and Jiannanchun liquors could be ethyl butanoate, ethyl pentanoate, ethyl hexanoate, ethyl octanoate, butyl hexanoate, ethyl 3-methylbutanoate, hexanoic acid, and 1,1-diethoxy-3-methylbutane (FD >= 1024). These compounds contributed to fruity, floral, and apple- and pineapple-like aromas with the exception of hexanoic acid, which imparts a sweaty note. Several pyrazines, including 2,5-dimethyl-3-ethylpyrazine, 2-ethyl-6-methylpyrazine, 2,6-dimethylpyrazine, 2,3,5-trimethylpyrazine, and 3,5-dimethyl-2-pentylpyrazine, were identified in these two liquors. Although further quantitative analysis is required, it seems that most of these pyrazine compounds had higher FD values in Wuliangye than in Jiannanchun liquor, thus imparting stronger nutty, baked, and roasted notes in Wuliangye liquor.

表征谱图