ethyl 3-acetylthio-2-methylbutanoate | 1221397-60-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 3-acetylthio-2-methylbutanoate
• 英文别名: ethyl 3-acetylthio-2-methylbutyrate；ethyl 3-acetylsulfanyl-2-methylbutanoate
• CAS: 1221397-60-9
• 化学式: C₉H₁₆O₃S
• 分子量: 204.29
• InChiKey: IAZBJQPJANCKDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 3-acetylthio-2-methylbutanoate 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以afforded the free thiol as a clear oil (3.7 g, 52%)的产率得到ethyl 3-mercapto-2-methylbutanoate
  参考文献：
  名称：

  THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS

  摘要：

  本发明的一个方面提供了一种由式(I)表示的化合物，其中R1是氢或乙酰基，R2是C1-3直链或支链烷基。本发明的另一个方面提供了至少包含式(I)中的一种化合物的香味或香料组合物。

  公开号：

  US20110256071A1
• 作为产物：
  描述：

  惕各酸乙酯 、 硫代乙酸 在 氮 作用下， 反应 24.0h， 生成 ethyl 3-acetylthio-2-methylbutanoate
  参考文献：
  名称：

  METHOD FOR PRODUCING SULFUR-CONTAINING CARBOXYLIC ACID ESTERS

  摘要：

  本发明提供了一种用于生产含硫羧酸酯的方法，该酯在芳香和调味方面非常有用，可以满足多样化芳香和/或调味产品的需求，进一步提供了一种香气和/或味道组合物，该组合物可由该方法生产的酯和含有该酯的芳香和/或调味产品组成。含硫羧酸酯由以下公式（3）表示：其中R1表示具有1至10个碳原子的烷基或可选取代的苯基（其取代基是具有1至4个碳原子的烷基或1至4个碳原子的烷氧基），R2和R3独立地表示氢原子、具有1至10个碳原子的烷基或具有2至10个碳原子的烯基，或R2和R3一起形成烷基链，R4表示具有1至4个碳原子的烷基。

  公开号：

  US20110282089A1

文献信息

• Thiol-containing fragrance and flavor materials
  申请人：Blandino Maureen

  公开号：US08445051B2

  公开（公告）日：2013-05-21

  One aspect of the present invention provides a compound represented by formula (I), wherein, R1 is hydrogen or an acetyl group and R2 is a C1-3 straight chain or branched alkyl group. Another aspect of the present invention provides flavor or fragrance compositions comprising at least one compound of formula (I).

  本发明的一个方面提供了一种由公式(I)所表示的化合物，其中，R1代表氢或乙酰基，R2代表C1-3直链或支链烷基。本发明的另一个方面提供了至少包含一种公式(I)化合物的香味或香料组合物。
• Method for producing sulfur-containing carboxylic acid esters
  申请人：Inaba Teruhiko

  公开号：US08536364B2

  公开（公告）日：2013-09-17

  The present invention provides a method for producing sulfur-containing carboxylic acid esters that are useful for aromatizing and flavoring purpose and can cater to the needs for diversified aromatized and/or flavored products, and to further provide a fragrance and/or flavor composition comprising the ester producible by the method and an aromatized and/or flavored product comprising the same. The sulfur-containing carboxylic acid ester is represented by the following formula (3): wherein R1 represents an alkyl group having 1 to 10 carbon atoms or an optionally substituted phenyl group (wherein the substituent thereof is an alkyl group having 1 to 4 carbon atoms or an alkoxy group having 1 to 4 carbon atoms), R2 and R3 independently represent a hydrogen atom, an alkyl group having 1 to 10 carbon atoms or an alkenyl group having 2 to 10 carbon atoms, or R2 and R3 together form an alkylene group, and R4 represents an alkyl group having 1 to 4 carbon atoms.

  本发明提供了一种生产含硫羧酸酯的方法，该酯对于芳香和调味目的非常有用，能够满足多样化芳香和/或调味产品的需求，进一步提供了一种香味和/或味道组合物，包括由该方法可制备的酯和包含该酯的芳香和/或调味产品。所述含硫羧酸酯由以下式子（3）表示：其中R1代表具有1到10个碳原子的烷基或可选取代的苯基（其中其取代基为具有1到4个碳原子的烷基或1到4个碳原子的烷氧基），R2和R3独立地代表氢原子、具有1到10个碳原子的烷基或具有2到10个碳原子的烯基，或者R2和R3一起形成烷基链，R4代表具有1到4个碳原子的烷基。
• Catalyst components for the polymerization of olefins
  申请人：BASELL POLIOLEFINE ITALIA S.R.L.

  公开号：US10011668B2

  公开（公告）日：2018-07-03

  The present disclosure relates to a catalyst component for the polymerization of olefins comprising Mg. Ti and an electron donor such as mercaptoester derivatives of the general formula (I). in which Z is selected from C, Si, O, N, S or P, with the proviso that the atoms O, S, P and N are not directly linked to either the carboxylic group or the sulfur atom of formula (I), the R2 groups, equal to or different from each other, are selected from hydrogen or a C1-C20 hydrocarbon radicals, optionally containing a heteroatom selected from halogen, P, S, N, O and Si, which can be fused together to form one or more cycles, m is a number satisfying the valences of Z and n is an integer ranging from 1 to 10, X is O or S, Y is —OR3, —NR4R5) or R6 groups in which R1 and R3 are selected from C1-C15 hydrocarbon groups, optionally containing a heteroatom selected from halogen, P, S, N, O, and Si, R4-R5 groups, independently, are hydrogen or R1 groups, and R6 groups have the same composition as R1 groups.

  本公开涉及一种用于烯烃聚合的催化剂组分，由 Mg.Ti和电子供体，如通式(I)的巯基酯衍生物。 其中 Z 选自 C、Si、O、N、S 或 P，但 O、S、P 和 N 原子不与式 (I) 的羧基或硫原子直接相连，R2 基团彼此相等或不同，选自氢或 C1-C20 烃基，任选含有选自卤素、P、S、N、O 和 Si 的杂原子，可融合在一起形成一个或多个循环、m是满足Z的价数，n是1至10的整数，X是O或S，Y是-OR3、-NR4R5）或R6基团，其中R1和R3选自C1-C15烃基，任选含有选自卤素、P、S、N、O和Si的杂原子，R4-R5基团独立地为氢或R1基团，R6基团的组成与R1基团相同。
• CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS
  申请人：BASELL POLIOLEFINE ITALIA S.R.L.

  公开号：US20180057622A1

  公开（公告）日：2018-03-01

  The present disclosure relates to a catalyst component for the polymerization of olefins comprising Mg. Ti and an electron donor such as mercaptoester derivatives of the general formula (I). in which Z is selected from C, Si, O, N, S or P, with the proviso that the atoms O, S, P and N are not directly linked to either the carboxylic group or the sulfur atom of formula (I), the R 2 groups, equal to or different from each other, are selected from hydrogen or a C 1 -C 20 hydrocarbon radicals, optionally containing a heteroatom selected from halogen, P, S, N, O and Si, which can be fused together to form one or more cycles, m is a number satisfying the valences of Z and n is an integer ranging from 1 to 10, X is O or S, Y is —OR 3 , —NR 4 R 5 ) or R 6 groups in which R 1 and R 3 are selected from C 1 -C 15 hydrocarbon groups, optionally containing a heteroatom selected from halogen, P, S, N, O, and Si, R 4 -R 5 groups, independently, are hydrogen or R 1 groups, and R 6 groups have the same composition as R 1 groups.
• US8445051B2
  申请人：——

  公开号：US8445051B2

  公开（公告）日：2013-05-21