ethyl 3-mercapto-2-methylbutanoate | 888021-82-7

• 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-mercapto-2-methylbutanoate
• 英文别名: ethyl 3-mercapto-2-methylbutyrate；ethyl 2-methyl-3-sulfanylbutanoate
• CAS: 888021-82-7
• 化学式: C₇H₁₄O₂S
• 分子量: 162.253
• InChiKey: YWBKQHMUWNMQOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  27.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  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

文献信息

• METHOD FOR PRODUCING SULFUR-CONTAINING CARBOXYLIC ACID ESTERS
  申请人：Inaba Teruhiko

  公开号：US20110282089A1

  公开（公告）日：2011-11-17

  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 R 1 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), R 2 and R 3 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 R 2 and R 3 together form an alkylene group, and R 4 represents an alkyl group having 1 to 4 carbon atoms.

  本发明提供了一种用于生产含硫羧酸酯的方法，这些酯对于芳香和调味目的非常有用，并且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味和/或味道组合物，该组合物由通过该方法可制备的酯和包含该酯的芳香和/或调味产品组成。含硫羧酸酯由以下式子（3）表示：其中，R1表示具有1至10个碳原子的烷基或可选择取代的苯基（其取代基为具有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。R4表示具有1至4个碳原子的烷基。
• 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。
• FRAGRANCE COMPOSITION
  申请人：Takasago International Corporation

  公开号：EP3944854A2

  公开（公告）日：2022-02-02

  The present invention relates to a fragrance composition containing a fragrance component which suppresses response strength of at least one olfactory receptor polypeptide, which is selected from the group consisting of OR2L3 and polypeptides that comprise an amino acid sequence having at least 80% identity to an amino acid sequence of OR2L3 and are responsive to an unpleasant odor-causing substance, to the unpleasant odor-causing substance. According to a preferred embodiment of the present invention, an unpleasant odor masking composition containing, as active components, at least one antagonist against an olfactory receptor OR2L3 and a specific component among fragrances which do not exert the effect of suppressing the response of OR2L3, is provided. According to a preferred embodiment of the present invention, unpleasantness caused by at least one unpleasant odor selected from the group consisting of fecal odor, body odor, tobacco odor, breath odor and musty odor can be reduced.

  本发明涉及一种香料组合物，其中含有一种香料成分，该香料成分可抑制至少一种嗅觉受体多肽对难闻气味物质的反应强度，该嗅觉受体多肽选自由OR2L3和由与OR2L3的氨基酸序列具有至少80%同一性的氨基酸序列组成的组，并且对难闻气味物质有反应。根据本发明的一个优选实施方案，提供了一种难闻气味掩蔽组合物，该组合物含有至少一种针对嗅觉受体 OR2L3 的拮抗剂和香料中不会产生抑制 OR2L3 反应效果的特定成分作为活性成分。根据本发明的一个优选实施方案，可以减少由至少一种选自粪便气味、体味、烟草味、呼吸气味和霉味的难闻气味引起的不愉快。
• METHOD FOR SCREENING OF UNPLEASANT ODOR MASKING AGENTS
  申请人：Takasago International Corporation

  公开号：EP3944855A2

  公开（公告）日：2022-02-02

  The present invention relates to a method for screening a candidate substance for an unpleasant odor masking agent from among test substances using an olfactory receptor that is responsive to an unpleasant odor-causing substance. The screening method of the present invention includes the steps of: adding a test substance and an unpleasant odor-causing substance to an olfactory receptor polypeptide selected from the group consisting of OR2L3 and polypeptides which comprise an amino acid sequence having at least 80% identity to an amino acid sequence of OR2L3 and are responsive to the unpleasant odor-causing substance; measuring a response of the olfactory receptor polypeptide to the unpleasant odor-causing substance; and identifying the test substance that suppresses the response of the olfactory receptor polypeptide as a candidate substance for the unpleasant odor masking agent based on the measured response.

  本发明涉及一种方法，利用对引起难闻气味的物质有反应的嗅觉受体，从测试物质中筛选出难闻气味掩蔽剂的候选物质。本发明的筛选方法包括以下步骤 向选自 OR2L3 和多肽组成的组的嗅觉受体多肽中添加测试物质和导致难闻气味的物质，这些多肽的氨基酸序列与 OR2L3 的氨基酸序列至少有 80% 的相同性，并且对导致难闻气味的物质有反应； 测量嗅觉受体多肽对难闻气味物质的反应；以及 根据测量到的响应，确定抑制嗅觉受体多肽响应的测试物质为难闻气味掩蔽剂的候选物质。