3-巯基丙酸环己酯 | 103604-42-8

• 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
• 中文名称: 3-巯基丙酸环己酯
• 英文名称: cyclohexyl 3-mercaptopropionate
• 英文别名: Cyclohexyl 3-sulfanylpropanoate
• CAS: 103604-42-8
• 化学式: C₉H₁₆O₂S
• 分子量: 188.291
• InChiKey: LWSMMYQFTZHMIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  27.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-溴-5,5-二甲基-4,5-二羟基异恶唑 、 3-巯基丙酸环己酯 在 双(乙腈)氯化钯(II) 、 potassium phosphate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 乙腈 为溶剂， 生成 3-(5,5-dimethyl-4,5-dihydroxyisoxazol-3-yl)cyclohexyl propionate
  参考文献：
  名称：

  3-（5,5-二甲基-4,5-二羟基异恶唑-3-基）丙酸酯及其合成方法和应用

  摘要：

  本发明公开了一种3‑（5,5‑二甲基‑4,5‑二羟基异恶唑‑3‑基）丙酸酯及其合成方法和应用，本发明通过3‑巯基丙酸酯与3‑卤代‑5,5‑二甲基‑4,5‑二氢异恶唑在催化剂下反应制得3‑（5,5‑二甲基‑4,5‑二羟基异恶唑‑3‑基）丙酸酯，该方法简化了合成工艺，反应速度快，杂质含量低，产品收率高，反应条件温和，设备成本低，合成过程和后处理过程粗放，该3‑（5,5‑二甲基‑4,5‑二羟基异恶唑‑3‑基）丙酸酯能作为砜吡草唑中间体，避免了5,5‑二甲基‑4,5‑二氢异恶唑硫脒盐酸盐中间体的诸多不足。

  公开号：

  CN116410151A
• 作为产物：
  描述：

  3-巯基丙酸 生成 3-巯基丙酸环己酯
  参考文献：
  名称：

  PITTET, A. O.;MURALIDHARA, R.;VOCK, M. H.;MILLER, K. P.;LUCCARELLI, D. , +

  摘要：

  DOI：

文献信息

• Cycloalkyl esters of mercaptoalkanoic acids
  申请人：International Flavors & Fragrances Inc.

  公开号：US04652670A1

  公开（公告）日：1987-03-24

  Described are the cycloalkyl esters of mercaptoalkanoic acids defined according to the structure: ##STR1## wherein R.sub.1 represents hydrogen or methyl; R.sub.2 represents mono C.sub.1 -C.sub.4 alkyl substituted or unsubstituted C.sub.5 -C.sub.8 cycloalkyl; R.sub.3 represents hydrogen or methyl; and N represents 0, 1 or 2 and uses thereof in augmenting or enhancing the aroma or taste of foodstuffs.

  本发明涉及一种巯基烷酸的环烷酯，其结构定义如下：##STR1##其中，R1代表氢或甲基；R2代表单个C1-C4烷基取代或未取代的C5-C8环烷基；R3代表氢或甲基；N代表0、1或2。本发明还涉及将其用于增强或提高食品的香味或口感的用途。
• Flavoring with cycloalkyl esters of mercaptoalkanoic acids
  申请人：International Flavors & Fragrances Inc.

  公开号：US04590082A1

  公开（公告）日：1986-05-20

  Described are the cycloalkyl esters of mercaptoalkanoic acids defined according to the structure: ##STR1## wherein R.sub.1 represents hydrogen or methyl; R.sub.2 represents mono C.sub.1 -C.sub.4 alkyl substituted or unsubstituted C.sub.5 -C.sub.8 cycloalkyl; R.sub.3 represents hydrogen or methyl; and N represents 0, 1 or 2 and uses thereof in augmenting or enhancing the aroma or taste of foodstuffs.

  本文描述的是根据以下结构定义的巯基烷酸环烷酯：## STR1 ## 其中R.sub.1代表氢或甲基；R.sub.2代表单个C.sub.1-C.sub.4烷基取代或未取代的C.sub.5-C.sub.8环烷基；R.sub.3代表氢或甲基；N代表0、1或2，并且用于增强或提高食品的香味或口感。
• Ethyl 3-mercaptobutyrate as a flavoring or fragrance agent and methods for preparing and using same
  申请人：Bush Boake Allen Inc.

  公开号：US20030064146A1

  公开（公告）日：2003-04-03

  This invention pertains to a method for flavoring an ingestible composition with a flavoring agent in organoleptically purified form, unaccompanied by substances of natural origin present in mango. The flavoring agent may be used in a wide variety of ingestible vehicles such as chewing gum compositions, hard and soft confections, dairy products, beverage products including juice drinks and juice products, green vegetable and chicken products, and the like. The present invention also pertains to an ingestible composition comprising an ingestible vehicle and an organoleptically effective amount of the purified flavoring agent. The present invention further pertains to ethyl 3-mercaptobutyrate represented by the formula, CH 3 (SH)CHCH 2 COOCH 2 CH 3 , in purified form, unaccompanied by substances of natural origin present in mango. The present invention still further pertains to a method to confer, enhance, improve, or modify the odor properties of a perfuming composition or a perfumed article, which comprises adding to the perfuming composition or perfumed article, ethyl 3-mercaptobutyrate represented by the formula, CH 3 (SH)CHCH 2 COOCH 2 CH 3 . The present invention still further pertains to a perfuming composition or a perfumed article containing as an active perfuming ingredient, ethyl 3-mercaptobutyrate represented by the formula, CH 3 (SH)CHCH 2 COOCH 2 CH 3 . The present invention also pertains to a method for preparing ethyl 3-mercaptobutyrate which comprises reacting ethyl crotonate with sodium hydrogen sulfide and sodium bicarbonate to form the disulfide dimer of ethyl 3-mercaptobutyrate followed by reducing the disulfide dimer to yield ethyl 3-mercaptobutyrate.

  本发明涉及一种使用器官感官纯化形式的调味剂为可食用组合物调味的方法，不伴随着芒果中存在的天然成分。该调味剂可以用于各种可食用载体，如口香糖组合物、硬糖和软糖、乳制品、饮料产品，包括果汁饮料和果汁产品、绿色蔬菜和鸡肉制品等。本发明还涉及一种包含可食用载体和纯化的调味剂的组合物。本发明还涉及用于香料组合物或香味物品的气味特性的赋予、增强、改善或修改的方法，其包括向香料组合物或香味物品中添加由公式CH3（SH）CHCH2COOCH2CH3表示的乙酸乙酯3-巯基丁酸乙酯。本发明还涉及作为活性香料成分的乙酸乙酯3-巯基丁酸乙酯的香料组合物或香味物品。本发明还涉及一种制备乙酸乙酯3-巯基丁酸乙酯的方法，其包括将乙酸乙烯酯与硫氢化钠和碳酸氢钠反应，形成乙酸乙酯3-巯基丁酸乙酯的二硫化二聚体，然后还原二硫化二聚体以得到乙酸乙酯3-巯基丁酸乙酯。
• PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE
  申请人：NISSAN CHEMICAL INDUSTRIES, LIMITED

  公开号：EP0760369A1

  公开（公告）日：1997-03-05

  The object of the present invention is to provide a method for producing substituted-1,3,5-triazine derivatives at high yield, in which at least one of carbon atoms in the ring thereof is substituted by a secondary amine group having at leat one of alkyl groups. The method of the present invention is a method for alkylation of 1,3,5-triazine derivatives, characterized by reacting 1,3,5-triazine derivatives (melamines, melamine derivatives, various kinds of guanaminde derivatives, etc.) which has at least one or more amino groups or mono-substituted amino groups on carbon atom of the ring thereof, with aldehydes or ketones alcohols in the presence of a catalyst of a metal of group VII and/or group VIII in the periodic table and a hydrogen-containing gas to alkylate said at least one of amino groups or mono-substituted amino groups. These derivatives are widely used as intermediates of fine chemicals such as agricultural chemicals, medications, dyestuffs, paints and the like and are widely used resin materials and as flame-retardant materials.

  本发明的目的是提供一种高产率生产取代的-1,3,5-三嗪衍生物的方法，在这种衍生物中，其环上至少有一个碳原子被至少有一个烷基的仲胺基取代。 本发明的方法是 1,3,5-三嗪衍生物的烷基化方法，其特征是将 1,3,5-三嗪衍生物（三聚氰胺、三聚氰胺衍生物、各种胍衍生物等）与至少具有一个或多个烷基的 1,3,5-三嗪衍生物（三聚氰胺、三聚氰胺衍生物、各种胍衍生物等）反应。其特征是：在元素周期表中第 VII 族和/或 VIII 族金属和含氢气体催化剂的存在下，将环的碳原子上至少有一个或多个氨基或单取代氨基的 1,3,5-三嗪衍生物（三聚氰胺、三聚氰胺衍生物、各种鸟苷酸衍生物等）与醛或酮醇反应，使上述至少一个氨基或单取代氨基烷基化。 这些衍生物被广泛用作精细化工产品的中间体，如农药、药物、染料、油漆等，也被广泛用作树脂材料和阻燃材料。
• INORGANIC-ORGANIC HYBRID MATERIAL, OPTICAL MATERIAL USING SAME, AND INORGANIC-ORGANIC COMPOSITE COMPOSITION
  申请人：Nippon Kasei Chemical Company Limited

  公开号：EP2586826A1

  公开（公告）日：2013-05-01

  The disclosed inorganic-organic hybrid material can realize an optical material that combines the conflicting properties of flexibility and high index of refraction, has a low degree of yellowness, and is highly transparent. Said inorganic-organic hybrid material contains both an inorganic component and an organic component, with the inorganic component constituting between 20% and 80% of the mass of the inorganic-organic hybrid material, and has an index of refraction of at least 1.60. When said inorganic-organic hybrid material is used to fabricate a strip specimen 1,000 µm thick, 5 mm wide, and 70 mm long, said specimen does not crack when wrapped 180° around a cylindrical metal rod with a diameter of 10 mm at 25°C. Also disclosed is an inorganic-organic composite composition that contains: a radiation-curable monomer; inorganic particles that have crystallite diameters between 1 and 10 nm as calculated from the half-height width of a crystalline peak as per X-ray diffraction; and a sulfur-containing organic compound. The curable monomer includes a monofunctional radiation-curable monomer and a polyfunctional radiation-curable monomer. In terms of sulfur-atom content, the sulfur-containing organic compound constitutes between 1.5% and 10% of the inorganic-organic composite composition by mass.

  所公开的无机-有机杂化材料可以实现一种兼具柔韧性和高折射率这两种相互矛盾的特性、低黄度和高透明性的光学材料。所述无机-有机杂化材料包含无机成分和有机成分，其中无机成分占无机-有机杂化材料质量的 20% 至 80%，折射率至少为 1.60。当上述无机-有机杂化材料用于制造厚度为 1,000 微米、宽度为 5 毫米、长度为 70 毫米的带状试样时，在 25°C 温度下，当试样 180° 缠绕在直径为 10 毫米的圆柱形金属棒上时，不会出现裂纹。还公开了一种无机-有机复合材料组合物，其中包含：辐射固化单体；无机颗粒，根据 X 射线衍射结晶峰的半高宽度计算，无机颗粒的结晶直径在 1 到 10 纳米之间；以及含硫有机化合物。固化单体包括单官能团辐射固化单体和多官能团辐射固化单体。就硫原子含量而言，含硫有机化合物占无机-有机复合材料组合物质量的 1.5% 至 10%。