2-propene-1-sulfinothioic acid S-n-propyl ester | 136516-43-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代亚磺酸酯
• 英文名称: 2-propene-1-sulfinothioic acid S-n-propyl ester
• 英文别名: 2-propene-1-sulfinothioic acid S-propyl ester；S-propyl-prop-2-ene-1-sulfinothioate；S-propyl 2-propene-1-sulfinothioate；1-prop-2-enylsulfinylsulfanylpropane
• CAS: 136516-43-3
• 化学式: C₆H₁₂OS₂
• 分子量: 164.293
• InChiKey: WIZBTKYLPUKXNY-UHFFFAOYSA-N

物化性质

• 沸点：
  263.0±33.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  丙烷-1-硫醇 、 allylsulfinyl chloride 在 吡啶 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以89%的产率得到2-propene-1-sulfinothioic acid S-n-propyl ester
  参考文献：
  名称：

  Allium Chemistry:  Supercritical Fluid Extraction and LC−APCI−MS of Thiosulfinates and Related Compounds from Homogenates of Garlic, Onion, and Ramp. Identification in Garlic and Ramp and Synthesis of 1-Propanesulfinothioic Acid S-Allyl Ester

  摘要：

  Supercritical fluid (SF) extracts of homogenized garlic (Allium sativum L.), ramp (A. tricoccum Ait.), chemical ionization mass spectrometric identification. The major thiosulfinates from garlic and ramp were readily characterized by this technique. Small quantities of ajoene, a potent antithrombotic agent, were also found in SP extracts of garlic homogenates. The profiles of onion juice extracts revealed the usual thiosulfinates, zwiebelanes, and bissulfine reported in prior studies, as well as cepaenes previously identified in extracts of onion juice through extensive isolation steps and spectroscopic methods. The presence of trace quantities of allyl compounds in onion juice and propyl compounds in garlic and ramp-homogenates has been verified by LC-mass spectrometry (MS). The presence of these compounds was not readily evident in previous analyses using gas chromatography-MS with cold-on-column injection and reversed-phase or normal phase LC with UV detection.

  DOI：

  10.1021/jf970314e

文献信息

• PROCESS OF PREPARING CONJUGATES OF ALLIUM ORGANOSULFUR COMPOUNDS WITH AMINO ACIDS, PEPTIDES, AND PROTEINS
  申请人：Parkin Kirk L.

  公开号：US20110082282A1

  公开（公告）日：2011-04-07

  Processes using Allium tissue homogenates and extracts in a simple and cost-effective manner to maximize the yields and recovery of thiosulfinates from Allium tissues and related organisms possessing alliinase, LF synthase and/or S-alk(en)yl-L-cysteine sulfoxides are disclosed.

  本发明揭示了使用Allium组织匀浆和提取物的过程，以简单且经济有效的方式最大化从Allium组织和相关生物中具有alliinase、LF合成酶和/或S-烷基-L-半胱氨酸亚砜的硫代磺酸盐的产量和回收率。
• Apparatus, method and composition for repelling animals
  申请人：——

  公开号：US20030091664A1

  公开（公告）日：2003-05-15

  An apparatus, method and composition for repelling animals are disclosed. The apparatus comprises a layer extracted from a plant of an Alliaceae family on a substrate, wherein the substrate is selected from the group consisting of plants, living animals and manufactured objects and combinations thereof. The method comprises extracting a plant of an Alliaceae family, Allium genus; and applying the extract to an exposed surface of a substrate, wherein the substrate is selected from the group consisting of plants, living animals, manufactured objects and combinations thereof. The composition comprises an extract of a plant of an Alliaceae family, Allium genus; and at least one egg, having a yolk portion.

  本发明公开了一种驱赶动物的装置、方法和组合物。该装置包括在基质上的一层从万年青科植物中提取的提取物，其中基质选自由植物、活体动物和人造物体及其组合组成的组。该方法包括提取茜草科、薤属植物；并将提取物涂抹在基质的暴露表面，其中基质选自由植物、活体动物、人造物品及其组合组成的组。该组合物包括茜草科、薤属植物的提取物；以及至少一个具有蛋黄部分的鸡蛋。
• US8481284B2
  申请人：——

  公开号：US8481284B2

  公开（公告）日：2013-07-09
• [EN] PROCESS OF PREPARING CONJUGATES OF ALLIUM ORGANOSULFUR COMPOUNDS WITH AMINO ACIDS, PEPTIDES, AND PROTEINS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE CONJUGUÉS DE COMPOSÉS ORGANOSOUFRÉS D'ALLIUM AVEC DES ACIDES AMINÉS, DES PEPTIDES, ET DES PROTÉINES
  申请人：WISCONSIN ALUMNI RES FOUND

  公开号：WO2011044113A1

  公开（公告）日：2011-04-14

  Processes using Allium tissue homogenates and extracts in a simple and cost-effective manner to maximize the yields and recovery of thiosulfinates from Allium tissues and related organisms possessing alliinase, LF synthase and/or S-alk(en)yl-L-cysteine sulfoxides are disclosed.
• <i>Allium</i> Chemistry:  Supercritical Fluid Extraction and LC−APCI−MS of Thiosulfinates and Related Compounds from Homogenates of Garlic, Onion, and Ramp. Identification in Garlic and Ramp and Synthesis of 1-Propanesulfinothioic Acid <i>S</i>-Allyl Ester
  作者：Elizabeth M. Calvey、Jean E. Matusik、Kevin D. White、Russell DeOrazio、Deyou Sha、Eric Block

  DOI：10.1021/jf970314e

  日期：1997.11.1

  Supercritical fluid (SF) extracts of homogenized garlic (Allium sativum L.), ramp (A. tricoccum Ait.), chemical ionization mass spectrometric identification. The major thiosulfinates from garlic and ramp were readily characterized by this technique. Small quantities of ajoene, a potent antithrombotic agent, were also found in SP extracts of garlic homogenates. The profiles of onion juice extracts revealed the usual thiosulfinates, zwiebelanes, and bissulfine reported in prior studies, as well as cepaenes previously identified in extracts of onion juice through extensive isolation steps and spectroscopic methods. The presence of trace quantities of allyl compounds in onion juice and propyl compounds in garlic and ramp-homogenates has been verified by LC-mass spectrometry (MS). The presence of these compounds was not readily evident in previous analyses using gas chromatography-MS with cold-on-column injection and reversed-phase or normal phase LC with UV detection.