5-hexenyl isothiocyanate | 49776-81-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫氰酸盐
• 英文名称: 5-hexenyl isothiocyanate
• 英文别名: 6-isothiocyanatohex-1-ene
• CAS: 49776-81-0
• 化学式: C₇H₁₁NS
• 分子量: 141.237
• InChiKey: WRFHVMFZOJHYGN-UHFFFAOYSA-N

物化性质

• 沸点：
  213.0±19.0 °C(Predicted)
• 密度：
  0.89±0.1 g/cm3(Predicted)
• LogP：
  3.15
• 物理描述：
  Colourless to pale yellow liquid; Pungent irritating aroma
• 溶解度：
  Very slightly soluble in water; freely soluble in ether
• 折光率：
  1.506-1.516

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-hexenyl isothiocyanate 生成 2-(4-Isothiocyanatobutyl)-thiiran
  参考文献：
  名称：

  JAHN R.; SCHMIDT U., MONATSH. CHEM. , 1978, 109, NO 1, 161-164

  摘要：

  DOI：
• 作为产物：
  描述：

  5-Hexenylthiocyanat 在 calcium carbonate 、 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以18.8 g的产率得到5-hexenyl isothiocyanate
  参考文献：
  名称：

  Structure–Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard

  摘要：

  Allyl isothiocyanate (ITC) (4) is the main pungent component in wasabi, and it generates an acrid sensation by activating TRPAL The flavor and pungency of ITCs vary depending on the compound. However, the differences in activity to activate TRPA1 between ITCs are effect of carbon chain length and substituents of ITCs, the not known except for a few compounds. To investigate the TRPA1-activiting ability ITCs was measured. Since most of the ITCs showed nearly equal TRPA1-activiting potency,. the ITC moiety is likely the predominant contributor to their TRPA1-activating abilities, and contributions of other functional groups to their activities to activate TRPA1 are comparatively small.

  DOI：

  10.1021/acs.jnatprod.5b00272

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• PROCESS FOR PRODUCING VINYL POLYMER HAVING ALKENYL GROUP AT END, VINYL POLYMER, AND CURABLE COMPOSITION
  申请人：KANEKA CORPORATION

  公开号：EP1375531A1

  公开（公告）日：2004-01-02

  Objects of the present invention are to provide a process for easily producing an alkenyl-terminated vinyl polymer without using a metal compound requiring a complicated purification step, and to provide a curable composition containing the vinyl polymer. An alkenyl group is incorporated into an end of a vinyl polymer having a thiocarbonylthio structure at the end to produce an alkenyl-terminated vinyl polymer. Mixing this vinyl polymer with a compound having a hydrogen-silicon bond and a hydrosilylation catalyst gives the curable composition.

  本发明的目的是提供一种无需使用需要复杂纯化步骤的金属化合物即可轻松生产烯基封端的乙烯基聚合物的工艺，并提供一种含有该乙烯基聚合物的可固化组合物。 在端部具有硫代羰基硫结构的乙烯基聚合物的端部加入烯基，生成烯基封端的乙烯基聚合物。将这种乙烯基聚合物与具有氢硅键的化合物和氢化硅催化剂混合，就得到了可固化组合物。
• CURABLE COMPOSITION
  申请人：KANEKA CORPORATION

  公开号：EP1452550A1

  公开（公告）日：2004-09-01

  The present invention provides a curable composition that comprises a polymer (A) containing a cross-linkable silyl group and a condensation catalyst (B). The polymer (A) containing a cross-linkable silyl group is obtained by a process comprising the steps of conducting a radical polymerizable monomer in the presence of a thiocarbonylthio compound. For example, the polymer (A) is obtained by (i) initiating a reversible addition-fragmentation chain transfer polymerization of a radical polymerizable monomer in the presence of a thiocarbonylthio compound, and (ii) adding an unsaturated compound containing a cross-linkable silyl group for copolymerization when a consumed amount of the radical polymerizable monomer by the polymerization has reached a level of 80% or more.

  本发明提供了一种可固化组合物，它包括含有可交联硅基的聚合物（A）和缩合催化剂（B）。含有可交联硅烷基的聚合物(A)是通过在硫代羰基硫代化合物存在下进行自由基聚合单体的步骤得到的。例如，聚合物(A)是通过以下方法获得的：(i) 在硫代羰基硫代化合物存在下，启动可自由基聚合单体的可逆加成-断裂链转移聚合；(ii) 当聚合消耗的可自由基聚合单体量达到 80% 或以上时，加入含有可交联硅烷基的不饱和化合物进行共聚。
• Compounds useful as modulators of TRPM8
  申请人：Senomyx, Inc.

  公开号：US10392371B2

  公开（公告）日：2019-08-27

  Provided herein are compounds which are useful as cooling sensation compounds.

  本文提供的化合物可用作冷感化合物。

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