1-十三烷硫醇 | 19484-26-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• 中文名称: 1-十三烷硫醇
• 中文别名: 十三硫醇(自命名)；十三硫醇
• 英文名称: tridecane-1-thiol
• 英文别名: 1-tridecanethiol；tridecyl mercaptan
• CAS: 19484-26-5
• 化学式: C₁₃H₂₈S
• 分子量: 216.431
• InChiKey: IPBROXKVGHZHJV-UHFFFAOYSA-N

物化性质

• 熔点：
  8.89°C
• 沸点：
  291℃
• 密度：
  0.841
• 闪点：
  112℃
• LogP：
  7.046 (est)
• 蒸汽压力：
  6.93e-04 mmHg

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  14
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  1-十三烷硫醇 在 boron trifluoride methanol complex 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 5.25h， 生成 methyl 5-thiastearate
  参考文献：
  名称：

  Jie, Marcel S. F. Lie Ken; Bakare, Oladapo, Journal of the Chemical Society. Perkin transactions II, 1989, p. 2121 - 2126

  摘要：

  DOI：
• 作为产物：
  描述：

  S-tridecyl ethanethioate 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 以72%的产率得到1-十三烷硫醇
  参考文献：
  名称：

  Intrinsic and Extrinsic Control of the pK_a of Thiol Guests inside Yoctoliter Containers

  摘要：

  Despite decades of research, there are still many open questions surrounding the mechanisms by which enzymes catalyze reactions. Understanding all the noncovalent forces involved has the potential to allow de novo catalysis design, and as a step toward this, understanding how to control the charge state of ionizable groups represents a powerful yet straightforward approach to probing complex systems. Here we utilize supramolecular capsules assembled via the hydrophobic effect to encapsulate guests and control their acidity. We find that the greatest influence on the acidity of bound guests is the location of the acidic group within the yoctoliter space. However, the nature of the electrostatic field generated by the (remote) charged solubilizing groups also plays a significant role in acidity, as does counterion complexation to the outer surfaces of the capsules. Taken together, these results suggest new ways by which to affect reactions in confined spaces.

  DOI：

  10.1021/jacs.0c00907

文献信息

• CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF
  申请人：Fujifilm Corporation

  公开号：US20210155644A1

  公开（公告）日：2021-05-27

  An object of the present invention is to provide a compound exhibiting an excellent drug efficacy as an anti-adenoviral agent, and an anti-adenoviral agent. The present invention provides an anti-adenoviral agent including a compound represented by General Formula [1] (in the formula, R 1 represents a hydrogen atom, a halogen atom, an amino group which may be substituted, a monocyclic nitrogen-containing heterocyclic ring group which may be substituted (provided that a nitrogen atom forming the ring is bonded to a carbon atom to which R 1 is bonded), a monocyclic nitrogen- and oxygen-containing heterocyclic ring group which may be substituted (provided that a nitrogen atom forming the ring is bonded to a carbon atom to which R 1 is bonded), a C 1-6 alkoxy group which may be substituted, a hydroxyl group which may be protected, or the like; R 2 represents a hydrogen atom or an amino protecting group; R 3 represents a C 1-20 alkoxy group which may be substituted, an aryloxy group which may be substituted, an amino group which may be substituted, or the like; R 4 represents a C 1-20 alkoxy group which may be substituted, an aryloxy group which may be substituted, an amino group which may be substituted, or the like; and X represents an oxygen atom or a sulfur atom) or a salt thereof.

  本发明的一个目的是提供一种作为抗腺病毒药剂具有优异药效的化合物，以及一种抗腺病毒药剂。本发明提供了一种包括由通式[1]表示的化合物的抗腺病毒药剂 （在公式中，R 1 表示氢原子、卤素原子、可能被取代的氨基、可能被取代的单环氮含杂环基团（前提是形成环的氮原子与R 1 结合的碳原子相结合）、可能被取代的单环氮和氧含杂环基团（前提是形成环的氮原子与R 1 结合的碳原子相结合）、可能被取代的C 1-6 烷氧基、可能被保护的羟基等；R 2 表示氢原子或氨基保护基团；R 3 表示可能被取代的C 1-20 烷氧基、可能被取代的芳氧基、可能被取代的氨基等；R 4 表示可能被取代的C 1-20 烷氧基、可能被取代的芳氧基、可能被取代的氨基等；X表示氧原子或硫原子）或其盐。
• QUENCHER
  申请人：Wako Pure Chemical Industries, Ltd.

  公开号：US20170342031A1

  公开（公告）日：2017-11-30

  A quencher is disclosed having a compound represented by the following general formula (1): wherein R 5 each independently represent a halogen atom, an alkyl group, an alkoxy group, an alkylthio group, an amino group having a substituent or not having a substituent, a hydroxy group, an aryl group, an aryloxy group, or an arylalkyl group; R 6 represents a group having a polymerizable unsaturated group, a hydroxy group, or the like; Y 1 represents an oxygen atom, or the like; An − represents an anion; Ar 1 represents a specific ring structure; * and ** represent binding positions; Ar 2 represents a benzene ring, a naphthalene ring, or an anthracene ring; n 1 represents a specific integer; and the following structure (1-10) in the general formula (1) is an asymmetric structure; (wherein R 5 , Y 1 , Ar 1 , Ar 2 , n 1 , * and ** are the same as described above.).

  一种淬灭剂被公开，该淬灭剂具有以下一般公式(1)表示的化合物： 其中R5各自独立代表一个卤素原子、一个烷基团、一个烷氧基团、一个烷硫基团、一个带有或不带有取代基的氨基团、一个羟基、一个芳基团、一个芳氧基团或一个芳烷基团；R6代表一个具有可聚合不饱和基团、一个羟基或类似基团的集团；Y1代表一个氧原子或类似；An代表一个阴离子；Ar1代表一个特定的环结构；*和**代表结合位置；Ar2代表一个苯环、一个萘环或一个蒽环；n1代表一个特定的整数； 并且一般公式(1)中的以下结构(1-10)是一个不对称结构； (其中R5、Y1、Ar1、Ar2、n1、*和**与上述描述相同)。
• CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20210147456A1

  公开（公告）日：2021-05-20

  An object of the present invention is to provide a compound exhibiting an excellent drug efficacy as an anti-adenoviral agent, and an anti-adenoviral agent. The present invention provides a compound represented by General Formula [1] (in the formula, R 1 represents a halogen atom, an amino group which may be substituted, a C 1-6 alkoxy group which may be substituted, a hydroxyl group which may be protected, or the like; R 2 represents a hydrogen atom or an amino protecting group; R 3 represents a C 1-20 alkoxy group which may be substituted, an aryloxy group which may be substituted, an amino group which may be substituted, or the like; R 4 represents a C 1-20 alkoxy group which may be substituted, an aryloxy group which may be substituted, an amino group which may be substituted, or the like); or a salt thereof.

  本发明的一个目的是提供一种作为抗腺病毒药剂的化合物，以及一种抗腺病毒药剂。本发明提供一种由通式[1]表示的化合物 （在该式中，R 1 代表卤原子，可能被取代的氨基，可能被取代的C 1-6 烷氧基，可能被保护的羟基等；R 2 代表氢原子或氨基保护基；R 3 代表可能被取代的C 1-20 烷氧基，可能被取代的芳氧基，可能被取代的氨基等；R 4 代表可能被取代的C 1-20 烷氧基，可能被取代的芳氧基，可能被取代的氨基等）；或其盐。
• BISPHENOL COMPOSITION CONTAINING AROMATIC ALCOHOL SULFONATE AND METHOD FOR PRODUCING SAME, POLYCARBONATE RESIN AND METHOD FOR PRODUCING SAME, AND BISPHENOL PRODUCTION METHOD
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：US20200190004A1

  公开（公告）日：2020-06-18

  A bisphenol composition including a specific amount of aromatic alcohol sulfonate, and a simple method of producing it are provided. Also provided is a method of producing a polycarbonate resin in which, by using the bisphenol composition including a specific amount of aromatic alcohol sulfonate, melt polymerization reaction can be efficiently allowed to proceed to produce a polycarbonate resin having an excellent color tone. A bisphenol composition including an aromatic alcohol sulfonate at not less than 0.1 ppb by mass with respect to a bisphenol. A method of producing a bisphenol composition, including reacting a ketone or an aldehyde with an aromatic alcohol in the presence of sulfuric acid to produce a bisphenol composition. A method of producing a polycarbonate resin, including producing a polycarbonate resin using the bisphenol composition. A polycarbonate resin including a specific amount of aromatic alcohol sulfonate.

  提供了一种包括特定量芳香醇磺酸盐的双酚类组合物，以及生产该组合物的简单方法。还提供了一种生产聚碳酸酯树脂的方法，通过使用包括特定量芳香醇磺酸盐的双酚类组合物，可以有效地进行熔融聚合反应，生产具有优异色调的聚碳酸酯树脂。一种包括不少于双酚类的质量的0.1 ppb芳香醇磺酸盐的双酚类组合物。一种生产双酚类组合物的方法，包括在硫酸存在下将酮或醛与芳香醇反应以生产双酚类组合物。一种生产聚碳酸酯树脂的方法，包括使用双酚类组合物生产聚碳酸酯树脂。一种包括特定量芳香醇磺酸盐的聚碳酸酯树脂。
• A Straightforward Protocol for the Solution-Phase Parallel Synthesis of Ceramide Analogues
  作者：Santiago Grijalvo、Xavier Matabosch、Amadeu Llebaria、Antonio Delgado

  DOI：10.1002/ejoc.200700814

  日期：2008.1

  A simple solution-phase protocol for the synthesis of ceramide analogues from easily accessible enantiopure scaffolds is disclosed. The method relies on the use of nucleophilic thiolates or phenoxides and appropriate supported reagents or scavengers to give the target compounds in good overall yields. The method is easily adaptable to combinatorial protocols and also amenable to automated processes

  公开了一种用于从容易获得的对映体纯支架合成神经酰胺类似物的简单液相方案。该方法依赖于亲核硫醇盐或酚盐以及适当的负载试剂或清除剂的使用，从而以良好的总产率得到目标化合物。该方法很容易适用于组合方案，也适用于生成中小型文库以供进一步筛选的自动化流程。（© Wiley-VCH Verlag GmbH & Co. KGaA，69451 Weinheim，德国，2008 年）

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