3-Mercapto-3,5,5-trimethyl-dihydro-furan-2-one | 118534-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 3-Mercapto-3,5,5-trimethyl-dihydro-furan-2-one
• 英文别名: 3,5,5-Trimethyl-3-sulfanyloxolan-2-one
• CAS: 118534-90-0
• 化学式: C₇H₁₂O₂S
• 分子量: 160.237
• InChiKey: JKKATRCFEBLJKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• 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

• 作为反应物：
  描述：

  3-Mercapto-3,5,5-trimethyl-dihydro-furan-2-one 在 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 20.0h， 生成 2,2,3a-Trimethyl-3,3a-dihydro-2H-thieno[3,2-b]furan-5-one
  参考文献：
  名称：

  磷烷介导的四氢内酯，四氢呋喃内酯和四氢内酯的合成

  摘要：

  衍生自酯，硫酯和酰胺的稳定的γ-酰基yl与γ-内酯羰基的分子内反应导致通过Wittig型环化作用分别形成了远电子，硫代电子和四氢γ-内酯。

  DOI：

  10.1016/s0040-4039(00)87835-1
• 作为产物：
  描述：

  3-Bromo-3,5,5-trimethyl-dihydro-furan-2-one 生成 3-Mercapto-3,5,5-trimethyl-dihydro-furan-2-one
  参考文献：
  名称：

  磷烷介导的四氢内酯，四氢呋喃内酯和四氢内酯的合成

  摘要：

  衍生自酯，硫酯和酰胺的稳定的γ-酰基yl与γ-内酯羰基的分子内反应导致通过Wittig型环化作用分别形成了远电子，硫代电子和四氢γ-内酯。

  DOI：

  10.1016/s0040-4039(00)87835-1

文献信息

• PERMANENT WAVING AGENT
  申请人：Shibuya Akira

  公开号：US20090081147A1

  公开（公告）日：2009-03-26

  A permanent waving agent is capable of permanent waving and coloring hair simultaneously. The permanent waving agent includes: (i) a perming first agent including at least one compound represented by Formula (1) below, and an acid dye and/or an oxidation dye: wherein X is a structure selected from the group consisting of —O—, —S—, —NH— and —NR 1 —; R 1 is an alkyl group of 1 to 6 carbon atoms; R 2 is a hydrogen atom or an alkyl group of 1 to 6 carbon atoms; Y is an oxygen atom or a sulfur atom; and R is a divalent organic residue optionally having a mercapto group; and (ii) a perming second agent including an oxidizing agent.

  一种永久烫发剂能够同时进行永久烫发和染色。该永久烫发剂包括：(i) 一个包括至少一种由下式（1）表示的化合物和酸性染料和/或氧化染料的烫发第一剂：其中X是从由—O—、—S—、—NH—和—NR1—组成的群体中选取的结构；R1是1至6个碳原子的烷基；R2是氢原子或1至6个碳原子的烷基；Y是氧原子或硫原子；R是一个二价的有机残基，可选地具有一个巯基；和(ii) 一个包括氧化剂的烫发第二剂。
• Hair Processing Agent And Method For Permanent Waving Hair
  申请人：Shibuya Akira

  公开号：US20080085251A1

  公开（公告）日：2008-04-10

  Provided are hair processing agents capable of permanent waving hair even at a neutral to weakly acidic pH range that causes less irritation to the skin, and hair processing agents in which an unpleasant odor is masked. Hair processing agents contain at least one compound represented by the formula (2). Hair processing agents contain a compound of the formula (2) and at least one compound (ii) selected from thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine, salts thereof and ester derivatives thereof. Hair processing agents contain a compound of the formula (2), a surfactant and water, and are emulsified. Hair processing agents contain a compound of the formula (2) and a specific perfume. wherein X is a structure selected from —O—, —S—, —NH— and —NR 1 —; R 1 is an alkyl group of 1 to 6 carbon atoms; Y is an oxygen atom or a sulfur atom; in the formula (1), Z is a divalent organic residue having at least one mercapto group; in the formula (2), R is a divalent organic residue optionally having a mercapto group; and R 2 is a hydrogen atom or an alkyl group of 1 to 6 carbon atoms.

  提供了能够在中性至微酸性pH范围内进行永久性卷发的头发处理剂，其对皮肤刺激较小，并且掩盖了不愉快的气味。头发处理剂包含至少一种由公式（2）表示的化合物。头发处理剂包含公式（2）的化合物和至少一种从巯基乙酸，巯基乳酸，半胱氨酸，乙酰半胱氨酸，半胱氨醇，酰基半胱氨醇，其盐和酯衍生物中选择的化合物（ii）。头发处理剂包含公式（2）的化合物，表面活性剂和水，并且是乳化的。头发处理剂包含公式（2）的化合物和特定香水。其中X是从-O-，-S-，-NH-和-NR1-选择的结构；R1是1到6个碳原子的烷基；Y是氧原子或硫原子；在公式（1）中，Z是具有至少一个巯基的二价有机残基；在公式（2）中，R是二价的有机残基，可选地具有巯基；R2是氢原子或1到6个碳原子的烷基。
• Hair Relaxer
  申请人：Shibuya Akira

  公开号：US20080131389A1

  公开（公告）日：2008-06-05

  A hair relaxer includes at least one specific mercapto compound such as 2-methoxyethyl 3-mercaptopropionate, 2-mercapto-4-butanolide and 2-mercapto-4-butyrolactam. The hair relaxer can achieve an excellent effect of shaping and relaxing hair over a wide range of pH values from weak acidity to weak alkalinity. In particular, the hair relaxer displays a more superior hair shaping and relaxing performance in a weakly acidic to neutral pH range. Consequently, the hair relaxer can drastically reduce the damage to the hair and skin and can reliably perform straightening, uncurling, curling and other hair processing.

  一种头发放松剂包括至少一种特定的巯基化合物，例如2-甲氧基乙基3-巯基丙酸酯，2-巯基-4-丁醇内酯和2-巯基-4-丁酰内酰胺。该头发放松剂可以在从弱酸性到弱碱性的广泛pH值范围内实现出色的造型和放松头发的效果。特别是，该头发放松剂在弱酸性到中性pH范围内显示出更卓越的头发造型和放松性能。因此，该头发放松剂可以大大减少对头发和皮肤的损伤，并可可靠地进行拉直、卷曲和其他头发加工。
• PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND
  申请人：Yorozuya Shinichi

  公开号：US20090171095A1

  公开（公告）日：2009-07-02

  A method of the invention industrially produces heterocyclic mercapto compounds useful as raw materials or intermediates in the synthesis of medicaments or pesticides, or as permanent wave agent, with a high yield and high productivity using easily available starting materials. A heterocyclic mercapto compound represented by Formula (1) (wherein X represents any structure of —O—, —S—, —NH—, and —NR 1 —; R 1 represents any of an alkyl group, alkoxy group and alkoxyalkyl group each having 1 to 6 carbon atoms; Y represents an oxygen atom, a sulfur atom or —NR 2 —; R 2 represents a hydrogen atom or alkyl group having 1 to 6 carbon atoms; and Z 1 represents a divalent organic residue having at least one mercapto group) is produced by reacting a metal sulfide or a metal hydrosulfide with a compound represented by Formula (2) (wherein X and Y are as defined in Formula (1); and Z 2 represents a divalent organic residue having at least one halogen group) in the presence of a solvent at a pH of 7.0 to 11.0.

  本发明提供了一种工业生产杂环硫醇化合物的方法，该化合物可用作合成药物或杀虫剂的原材料或中间体，或用作永久波发剂，使用易得的起始材料高产高效。通过在溶剂存在下，在pH为7.0至11.0的条件下，将金属硫化物或金属氢硫化物与化合物（式2）（其中X和Y如式（1）中定义，Z2表示至少具有一个卤素基团的二价有机残基）反应，从而制备出由式（1）所代表的杂环硫醇化合物（其中X表示-O-，-S-，-NH-和-NR1-的任何结构；R1表示具有1至6个碳原子的烷基，烷氧基和烷氧基烷基中的任何一种；Y表示氧原子，硫原子或-NR2-；R2表示具有1至6个碳原子的氢原子或烷基；Z1表示至少具有一个硫醇基团的二价有机残基）。
• BRENNAN, JOHN;MURPHY, PATRICK J., TETRAHEDRON LETT., 29,(1988) N 17, 2063-2066
  作者：BRENNAN, JOHN、MURPHY, PATRICK J.

  DOI：——

  日期：——