4-hexylbenzenethiol | 4619-85-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 4-hexylbenzenethiol
• 英文别名: 4-n-hexylthiophenol
• CAS: 4619-85-6
• 化学式: C₁₂H₁₈S
• 分子量: 194.341
• InChiKey: GDKQNVYPGBJRLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  4-hexylbenzenethiol 在 potassium tert-butylate 作用下， 以 N,N-二甲基乙酰胺 、 二甲基亚砜 为溶剂， 反应 4.0h， 生成 5-(4-Hexyl-phenylsulfanyl)-quinazoline-2,4-diamine
  参考文献：
  名称：

  Selective Inhibitors of Candida albicans Dihydrofolate Reductase: Activity and Selectivity of 5-(Arylthio)-2,4-diaminoquinazolines

  摘要：

  The recent increase in fungal infections, especially among AIDS patients, has resulted in the need for more effective antifungal agents. In our search for such agents, we focused on developing compounds which inhibit fungal dihydrofolate reductase (DHFR). A series of 25 5-(arylthio)-2,4-diaminoquinazolines were synthesized as potentially selective inhibitors of Candida albicans DHFR. The majority of the compounds were potent inhibitors of C. albicans DHFR and much less active against human DHFR. High selectivity, as defined by the ratio of the I-50 values for human and C. albicans DHFR, was achieved by compounds with bulky and rigid 4-substituents in the phenylthio moiety. For example, 5-[(4-morpholinophenyl)thio]-2,4-diaminoquinazoline displayed a selectivity ratio of 540 and was the most selective inhibitor synthesized to date. Substitution in the 2- or 3-position of the 5-phenylthio group provided only marginal selectivity. 6-Substituted-5-[(4-tert-butylphenyl)thio]-2,4-diaminoquinazolines showed potent activity against the C. albicans enzyme but were equally active against human DHFR. Most of the selective compounds were also good inhibitors of C. albicans cell growth, with minimum inhibitory concentration values as low as 0.05 mu g/mL.

  DOI：

  10.1021/jm00018a021
• 作为产物：
  描述：

  己基苯 在 硫酸 、 锌 、 三氯氧磷 作用下， 以 水 为溶剂， 反应 4.5h， 生成 4-hexylbenzenethiol
  参考文献：
  名称：

  半硫靛衍生物的光致变色。一、在有机溶剂中的制备及光致变色性能

  摘要：

  新合成了 13 种带有烷基链的半硫靛 (HT) 衍生物，并研究了它们的光致变色和发射性能。这些化合物在有机溶剂中的 Z/E 光异构现象与 Mostoslavskii 和 Izmail'skii (J. Gen. Chem. USSR, Engl Transl.), 31, 21 (1961) 和随后的论文) 报道的数据基本一致。在 77 K 时，HT 生色团的 E 和 Z 异构体都发出强度相当的荧光，而在室温下，仅从 Z 异构体观察到非常微弱的荧光。对 Z/E 光异构化的可重复数量的检查表明，HT 发色团具有显着的固有光疲劳抗性。

  DOI：

  10.1246/bcsj.65.649

文献信息

• Organic Semiconductor Material
  申请人：Miyata Yasuo

  公开号：US20110087034A1

  公开（公告）日：2011-04-14

  A dihydroindacene compound represented by the following formula (1): wherein R 1 is identical or different from each other, and each denotes a hydrogen atom, alkyl which may be substituted, alkenyl which may be substituted, alkynyl which may be substituted, alkoxy which may be substituted, alkylthio which may be substituted, aryl which may be substituted, aryloxy which may be substituted, or the like; R 2 to R 5 are identical or different from each other, and each denote a hydrogen atom, alkyl which may be substituted, alkenyl which may be substituted, or the like; p is 0, 1, or 2; and ring structures A and B are identical or different from each other, and each denote a benzene ring which may be substituted, a thiophene ring which may be substituted, or the like.

  一种二氢吲哚嗪化合物，其由以下式（1）表示：其中R1彼此相同或不同，各自表示氢原子、可被取代的烷基、可被取代的烯基、可被取代的炔基、可被取代的烷氧基、可被取代的烷硫基、可被取代的芳基、可被取代的芳氧基等；R2至R5彼此相同或不同，各自表示氢原子、可被取代的烷基、可被取代的烯基等；p为0、1或2；环结构A和B彼此相同或不同，各自表示可被取代的苯环、可被取代的噻吩环等。
• The application of phenylmethanethiol and benzenethiol derivatives as odorless organosulfur reagents in the synthesis of thiosugars and thioglycosides
  作者：Jun-ya Hasegawa、Masahiro Hamada、Tetsuo Miyamoto、Kiyoharu Nishide、Tetsuya Kajimoto、Jun-ichi Uenishi、Manabu Node

  DOI：10.1016/j.carres.2005.07.011

  日期：2005.10

  p-octyloxyphenylmethanethiol and p-dodecylbenzenethiol were prepared as new odorless organosulfur reagents. Thiosugars and thioglycosides were synthesized using these reagents without encountering any malodorous procedures.

  制备了对位辛氧基苯甲硫醇和对十二烷基苯硫醇作为新的无味有机硫试剂。使用这些试剂合成了硫代糖精和硫糖苷，没有遇到任何恶臭的过程。
• 一种液晶性蒽醌型二向性染料及含该染料的膜和显示器
  申请人：北京大学

  公开号：CN106366689A

  公开（公告）日：2017-02-01

  本发明公开了一种液晶性蒽醌型二向性染料及含该染料的膜和显示器，所述二向性染料的结构如下述通式所示：式中，C1、C2各自独立的代表具有5-20个碳原子的烷基或烷氧基；Ar1、Ar2各自独立的代表苯基、芳族杂环基、环己烯、环己二烯、联苯基、苯基环己烷基、苯基环己烯、苯基环己二烯、萘基；B1、B2各自独立的代表酯基、炔基、亚氨基、醚基或硫醚基；R1、R2、R3、R4各自独立代表氢原子、羟基、甲氧基、氨基或硝基。本发明制备的染料，溶解度优良、二向色比高，防护波长可调，与液晶基体相容性优异，因此适用于与液晶材料组合应用于偏振膜、液晶显示器等方面。
• Achiral fluorine-containing liquid crystals
  申请人：——

  公开号：US05082587A1

  公开（公告）日：1992-01-21

  Achiral fluorine-containing liquid crystal compounds are provided. The compounds comprise a fluorocarbon terminal portion and a hydrocarbon or another fluorocarbon terminal portion, the terminal portions being connected by a central core, the compounds having smectic mesophases or having latent smectic mesophases. The compounds are useful in liquid crystal display devices both along and in mixtures with other materials. Also provided is a process for preparing these compounds.

  提供了不对映的含氟液晶化合物。这些化合物包括氟碳端部和烃基或另一氟碳端部，这些端部通过一个中心核心连接，这些化合物具有薄层介晶相或具有潜在的薄层介晶相。这些化合物在液晶显示器件中与其他材料一起使用时非常有用。还提供了制备这些化合物的方法。
• Effects of lipophilicity, protecting group and stereochemistry on the antimalarial activity of carbohydrate-derived thiochromans
  作者：Gilbert K. Madumo、Paseka T. Moshapo、Henok H. Kinfe

  DOI：10.1007/s00044-017-2105-5

  日期：2018.3

  influence of alkyl substituents on the aromatic ring of the thiophenol moiety in addition to the effect of protecting groups and stereochemistry on the sugar component of the target molecules. Results from the evaluation of the thiochromans for their antimalarial activity against the chloroquine-sensitive (3D7) strain of Plasmodium falciparum suggest that the presence of short chain alkyl substituents

  为了研究烷基取代基对目标分子糖成分上保护基团和立体化学的影响，还成功合成了一系列新型的碳水化合物衍生的硫代色团，以研究烷基取代基对硫酚部分芳香环的影响。硫代吡喃对恶性疟原虫对氯喹敏感的（3D7）菌株的抗疟活性的评估结果表明，短链烷基取代基，苄基醚保护基的存在和糖上C-4取代基的赤道取向部分是赋予高抗疟活性的关键结构特征。