tert-butyl 4-methyl-1,2-dithiolan-4-yl carbamate | 1221639-85-5

• 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
• 英文名称: tert-butyl 4-methyl-1,2-dithiolan-4-yl carbamate
• 英文别名: tert-butyl N-(4-methyldithiolan-4-yl)carbamate
• CAS: 1221639-85-5
• 化学式: C₉H₁₇NO₂S₂
• 分子量: 235.371
• InChiKey: LQIFVDZXUQKUGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• [EN] DITHIOLANE COMPOUNDS; COMPOSITIONS CONTAINING THEM; USES FOR PHOTOPROTECTING THE SKIN<br/>[FR] COMPOSÉS DE DITHIOLANE ; COMPOSITIONS LES CONTENANT, LEURS UTILISATIONS POUR LA PHOTOPROTECTION DE LA PEAU
  申请人：OREAL

  公开号：WO2010040603A1

  公开（公告）日：2010-04-15

  The present invention relates to novel dithiolane compounds of formula (I) below: formula (I), in which Y denotes 0, NR1 or S; R1 denotes a hydrogen atom; a saturated linear C1-C20 or branched C3-C20 or unsaturated C2-C20 alkyl hydrocarbon- based group; an aryl group optionally substituted with one or more hydroxyls and/or with one or more C1-C8 alkoxy radicals; R denotes a hydrogen atom; a saturated linear C1-C20 or branched C3-C20 or unsaturated C2-C20 alkyl hydrocarbon- based group; a radical having the following formula (Ia), in which n = 0, 1, 2, 3 or 4; x = 0, 1, 2 or 3 and R3, which may be identical or different, denote a hydrogen atom or a linear or branched C1-C4 alkyl such as methyl, ethyl or isopropyl; the radical 4-methyl dithiolane when Y denotes NH; when Y denotes NHR1 and R1 is other than hydrogen, R and Ri may form a ring. The invention also relates to the uses of these compounds for reinforcing the natural antioxidant protection of the skin against oxidative stress caused especially by UV radiation.

  本发明涉及以下式子（I）的新型二硫杂环化合物：式子（I），其中Y表示0、NR1或S；R1表示氢原子；基于饱和线性C1-C20或支链C3-C20或不饱和C2-C20烷基碳的基团；一种芳基，可选地带有一个或多个羟基和/或一个或多个C1-C8烷氧基；R表示氢原子；基于饱和线性C1-C20或支链C3-C20或不饱和C2-C20烷基碳的基团；一种具有以下式子（Ia）的基团，其中n = 0,1,2,3或4；x = 0,1,2或3，R3可能相同也可能不同，表示氢原子或线性或支链C1-C4烷基，如甲基、乙基或异丙基；当Y表示NH时，基团为4-甲基二硫杂环；当Y表示NHR1且R1不是氢时，R和Ri可以形成环。本发明还涉及这些化合物用于增强皮肤对氧化应激（尤其是紫外线辐射引起的）的天然抗氧化保护的用途。