3-methylthiopropionic acid propyl ester | 690210-31-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-methylthiopropionic acid propyl ester
• 英文别名: propyl 3-(methylsulfanyl)propionate；1-propyl 3-(methylthio)propanoate；2-propyl 3-(methylthio)propanoate；propyl 3-(methylthio)propanoate；Propyl 3-(methylthio)propionate；propyl 3-methylsulfanylpropanoate
• CAS: 690210-31-2
• 化学式: C₇H₁₄O₂S
• mdl: MFCD19595737
• 分子量: 162.253
• InChiKey: UTOMWOGUUQOAAR-UHFFFAOYSA-N

物化性质

• 沸点：
  220.5±23.0 °C(Predicted)
• 密度：
  1.004±0.06 g/cm3(Predicted)
• 保留指数：
  1169.2

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-propen-1-yl 3-(methylthio)propanoate 在 氧气 、 一水合肼 、 四丁酸核黄素酯 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以89%的产率得到3-methylthiopropionic acid propyl ester
  参考文献：
  名称：

  用合成黄素催化剂原位生成二亚胺使好氧还原烯烃

  摘要：

  通过用中性和阳离子合成黄素催化剂1和2对肼进行好氧氧化，可以有效地生成通用的还原剂二酰亚胺。该技术为有氧还原烯烃提供了一种方便，安全的方法，该方法是在O 2或空气中以1当量的肼进行的。高肼效率，简便安全的处理方法和独特的化学选择性已证明了其与传统的基于气体的方法相比具有综合优势。维生素B 2衍生物6由于具有很高的利用率和可回收性，因此可作为一种高度实用，坚固的催化剂。1 b的缔合体具有树枝状2,5-双（酰基氨基）吡啶15的化合物表现出空前的催化活性，当将更高级的树枝状大分子用作缔合催化剂的主体对时，芳烃和羟基烯烃的还原速度显着加快。在用树枝状聚合物催化剂对非芳族或非羟基烯烃进行类似处理时，观察到相反的阻滞作用。对照实验和动力学研究表明，这些催化反应包括由肼生成二酰亚胺的两个独立的厌氧和好氧过程。树枝状大分子对催化反应的正面和负面影响归因于肼和烯烃底物在缔合络合物催化剂的类酶反应腔中的特定包含。

  DOI：

  10.1002/chem.201003278

文献信息

• [EN] SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS<br/>[FR] PYRAZOLOAZÉPIN-4-ONES SUBSTITUÉES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE PHOSPHODIESTÉRASE
  申请人：LEO PHARMA AS

  公开号：WO2018108230A1

  公开（公告）日：2018-06-21

  The present invention relates to novel substituted pyrazoloazepin-4-ones with phosphodiesterase inhibitory activity, as well as to their use as therapeutic agents in the treatment of inflammatory diseases and conditions.

  本发明涉及具有磷酸二酯酶抑制活性的新型取代吡唑啉-4-酮化合物，以及它们作为治疗炎症性疾病和症状的治疗剂的用途。
• PIGMENT DISPERSION AND TONER
  申请人：CANON KABUSHIKI KAISHA

  公开号：US20160246200A1

  公开（公告）日：2016-08-25

  A pigment dispersion containing a pigment, a non-water-soluble solvent, a compound in which an specific azo skeleton structure is bonded to a specific polymer having a monomer unit given, and a polymer compound having a monomer unit that contains a structure selected from the partial structures given by the specific formulas (3) and (4).

  一种颜料分散液，包含颜料、非水溶性溶剂、一种特定的聚合物，其中该聚合物具有给定的单体单元，以及一种聚合物化合物，该聚合物化合物具有包含从特定公式（3）和（4）给定的部分结构中选择的结构的单体单元。
• (Methylsulfanyl)alkanoate ester biosynthesis in Actinidia chinensis kiwifruit and changes during cold storage
  作者：Catrin S. Günther、Adam J. Matich、Ken B. Marsh、Laura Nicolau

  DOI：10.1016/j.phytochem.2010.01.016

  日期：2010.5

  Four 3-(methylsulfanyl)propionate esters, ethyl 3-(methylsulfanyl)prop-2-enoate, two 2-(methylsulfanyl)acetate esters and their possible precursors 2-(methylsulfanyl)ethanol, 3-(methylsulfanyl)propanol and 3-(methylsulfanyl)propanal were quantified from the headspace of Actinidia chinensis 'Hort 16A' kiwifruit pulp by GC-MS-TOF analysis. The majority of these compounds were specific for eating-ripe fruit and their levels increased in parallel with the climacteric rise in ethylene, accumulating towards the very soft end of the eating firmness. No ethylene production could be observed after long-term storage (4-6 months) at 1.5 degrees C and the levels of all methylsulfanyl-volatiles, except methional, declined by 98-100% during that period. This depletion of (methylsulfanyl)alkanoate-esters after prolonged cold storage points towards little flavour impact of these compounds on commercial 'Hort 16A' kiwifruits. However, ethyl 3-(methylsulfanyl)propionate is suggested to be odour active in ripe 'Hort 16A' fruit that has not been stored. Gene expression measured by q-RT PCR of six ripening-specific alcohol acyltransferase (AAT) expressed sequence tags and (methylsulfanyl)alkanoate-ester production of cell-free extracts were also significantly decreased after prolonged cold storage. However, (methylsulfanyl)alkanoate-ester synthesis of cell-free extracts and AAT gene transcript levels could be recovered by ethylene treatment after five months at 1.5 degrees C indicating that the biosynthesis of (methylsulfanyl)alkanoate-esters in 'Hort 16A' kiwifruit is likely to depend on ethylene-regulated AAT-gene expression. That the composition but not the concentration of (methylsulfanyl)alkanoate-esters in fresh fruit could be restored after ethylene treatment suggests that substrate availability might also have an impact on the final levels of these volatiles. (C) 2010 Elsevier Ltd. All rights reserved.
• Neutral Flavins: Green and Robust Organocatalysts for Aerobic Hydrogenation of Olefins
  作者：Yasushi Imada、Takahiro Kitagawa、Takashi Ohno、Hiroki Iida、Takeshi Naota

  DOI：10.1021/ol902393p

  日期：2010.1.1

  Various olefins can be hydrogenated quantitatively with neutral flavin 2 catalysts in the presence of 1-2 equiv of hydrazine under 1 atm of O(2), Vitamin B(2) derivative 2g acts as a highly efficient and robust catalyst for the present environmentally benign process producing water and nitrogen gas as the only waste products.
• SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS
  申请人：Leo Pharma A/S

  公开号：EP3551633A1

  公开（公告）日：2019-10-16