2-[(4-甲基苄基)硫基]乙醇 | 89040-08-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[(4-甲基苄基)硫基]乙醇
• 英文名称: 4-methylbenzyl 2-hydroxyethyl monosulfide
• 英文别名: 2-[(4-methylbenzyl)sulfanyl]ethanol；S-(4-methylbenzyl)-2-thioethanol；2-[(4-Methylbenzyl)thio]ethanol；2-[(4-methylphenyl)methylsulfanyl]ethanol
• CAS: 89040-08-4
• 化学式: C₁₀H₁₄OS
• 分子量: 182.287
• InChiKey: BSJMWJZAXPXXHK-UHFFFAOYSA-N

物化性质

• 沸点：
  313.4±22.0 °C(Predicted)
• 密度：
  1.094±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  2-[(4-甲基苄基)硫基]乙醇 在 甲基磺酰氯 、 间氯过氧苯甲酸 、 三甲胺 作用下， 以 二氯甲烷 、 二氯氟甲烷 为溶剂， 生成 N,N,N-trimethyl-2-((4-methylbenzyl)sulfonyl)ethanaminium iodide
  参考文献：
  名称：

  [EN] IMMUNOMODULATORY COMPOUNDS
  [FR] COMPOSÉS IMMUNOMODULATEURS

  摘要：

  本发明涉及化合物及其在治疗或预防与炎症相关的疾病中的用途。

  公开号：

  WO2014023934A1
• 作为产物：
  描述：

  4-甲基苄溴 、 2-巯基乙醇 在 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以98%的产率得到2-[(4-甲基苄基)硫基]乙醇
  参考文献：
  名称：

  [EN] IMMUNOMODULATORY COMPOUNDS
  [FR] COMPOSÉS IMMUNOMODULATEURS

  摘要：

  本发明涉及化合物及其在治疗或预防与炎症相关的疾病中的用途。

  公开号：

  WO2014023934A1

文献信息

• Synthesis of Difficult Cyclic Peptides by Inclusion of a Novel Photolabile Auxiliary in a Ring Contraction Strategy
  作者：Wim D. F. Meutermans、Simon W. Golding、Greg T. Bourne、Les P. Miranda、Michael J. Dooley、Paul F. Alewood、Mark L. Smythe

  DOI：10.1021/ja992173y

  日期：1999.10.1

  Yields of such processes are highly dependent on the size of the ring being formed and on the particular amino acids of the linear precursor, giving rise to the well-known sequence-dependent effect of cyclization. To overcome this problem, we have developed a peptide cyclization strategy that proceeds through a ring closure/ring contraction process. The linear peptide Ala-Phe-Leu-Pro-Ala, which does not

  环肽包含一大类重要的生物活性分子。它们通常在高稀释条件下通过 C 和 N 末端的酰胺键形成反应合成。此类过程的产率高度依赖于形成的环的大小和线性前体的特定氨基酸，从而产生众所周知的依赖于序列的环化效应。为了克服这个问题，我们开发了一种通过闭环/环收缩过程进行的肽环化策略。在常规环化条件下不生成单环产物的线性肽 Ala-Phe-Leu-Pro-Ala 被用作模型来探测一系列助剂。这导致了一种新的光不稳定肽环化辅助剂的开发。6-硝基-2-羟基苄基通过还原性烷基化很容易且定量地在N-末端引入。辅助肽的环化最初通过一个循环...
• ORGANOSULFUR COMPOUNDS AS POTENTIAL FUNGICIDES: THE PREPARATION AND PROPERTIES OF SOME SUBSTITUTED BENZYL 2-HYDROXYETHYL OLIGOSULFIDES
  作者：Ezekiel T. Ayodele、Harry R. Hudson、Isaac A.O. Ojo、Max Pianka

  DOI：10.1080/10426500008043656

  日期：2000.4.1

  Abstract Compounds of the general type ArCH2SnCH2CH2OH (n = 1–4, Ar = Ph. 2-MeC6H4, 4-MeC6H4, 4-ClC6H4, 4-MeOC6H4; n = 1–3, Ar = 2-ClC6H4; n =2 Ar = 4-FC6H4; n =3 or 4, Ar = 2-furyl) have been prepared as analogues of the trisulfide PhCH2SSSCH2CH2OH antimicrobial compound which occurs in the plant Petiveria alliacea) and their potential application as agricultural fungicides has been examined. In vitro

  摘要 一般类型的化合物 ArCH2SnCH2CH2OH (n = 1–4, Ar = Ph. 2-MeC6H4, 4-MeC6H4, 4-ClC6H4, 4-MeOC6H4; n = 1-3, Ar = 2-ClC6H4; n =2 Ar = 4-FC6H4；n = 3 或 4，Ar = 2-呋喃基）已被制备为三硫化物 PhCH2SSSCH2CH2OH 抗菌化合物的类似物，该化合物存在于植物 Petiveria alliacea）中，并且它们作为农用杀菌剂的潜在应用已得到检验。针对小镰刀菌、尖孢镰刀菌和禾本科青霉病菌的体外试验表明，所有化合物在 1000 ppm 时都对这些微生物产生了 > 80% 的控制。100 和 10 ppm 的测试表明控制水平不同，但活性与存在的硫原子数量无关。选定的化合物也被证明在体内对大麦幼苗上的白粉病具有活性，Borrytis fabae 和 Uromyces
• NOVEL AZOLE COMPOUND
  申请人：YAMAMOTO Takashi

  公开号：US20130041000A1

  公开（公告）日：2013-02-14

  Azole compounds represented by formula I: wherein ring A is isoxazole and the like, R1 is a substituted or unsubstituted aryl group and the like, R2 is a hydrogen atom and the like, and R3 is a substituted or unsubstituted alkyl group and the like, and pharmaceutically acceptable salts thereof inhibit the physiological activity of lysophosphatidic acid (LPA), and are useful as for the prophylaxis or treatment of diseases in which inhibition of the physiological activity of LPA is useful for the prophylaxis or treatment thereof, such as diseases involving the LPA receptor.

  公式I所代表的氮唑化合物，其中环A是异噁唑等，R1是取代或未取代的芳基基团等，R2是氢原子等，R3是取代或未取代的烷基基团等，以及其药学上可接受的盐，能够抑制溶血磷脂酸（LPA）的生理活性，可用于预防或治疗需要抑制LPA生理活性的疾病，例如涉及LPA受体的疾病。
• Immunomodulatory Compounds
  申请人：University of Strathclyde

  公开号：US20150218116A1

  公开（公告）日：2015-08-06

  This invention relates to compounds and uses thereof in the treatment or prophylaxis of diseases associated with inflammation.

  本发明涉及化合物及其在治疗或预防与炎症相关的疾病中的用途。
• Auxiliary for amide bond formation
  申请人：The University of Queensland

  公开号：US07718598B1

  公开（公告）日：2010-05-18

  This invention relates to methods for preparing cyclic peptides and peptidomimetic compounds in solution and bound to solid supports, and to cyclic peptide or peptidomimetic libraries for use in drug screening programmes. In particular, the invention relates to a generic strategy for synthesis of cyclic peptides or peptidomimetics that enables the efficient synthesis under mild conditions of a wide variety of desired compounds. Two approaches were evaluated for their improvements in solution and solid phase synthesis of small cyclic peptides: positioning reversible N-amide substituents in the sequence; and applying native ligation chemistry in an intramolecular sense. Systematic investigation of the effects of preorganizing peptides prior to cyclisation by using peptide cyclisation auxiliaries, and developing new linkers and peptide cyclisation auxiliaries to aid cyclic peptide synthesis gives surprising improvements in both yields and purity of products compared to the prior art methods. The combination of these technologies provides a powerful generic approach for the solution and solid phase synthesis of small cyclic peptides. The ring contraction and N-amide substitution technology of the invention provide improved methods for the synthesis of cyclic peptides and peptidomimetics. When used in conjunction with linker strategies, this combination provides solid-phase avenues to cyclic peptides and peptidomimetics.

  本发明涉及制备溶液中和固定于固体支持物中的环肽和肽类似化合物的方法，以及用于药物筛选计划的环肽或肽类似物库。特别是，本发明涉及一种通用的合成环肽或肽类似物的策略，使得在温和条件下高效合成各种所需化合物成为可能。针对小环肽的溶液和固相合成，评估了两种方法的改进：在序列中定位可逆的N-酰胺取代基；并在分子内应用天然连接化学。通过使用肽环化辅助剂预先组织肽链进行环化，并开发新的连接剂和肽环化辅助剂以帮助合成环肽，系统地研究了这些辅助剂对环化前的肽的影响，相比现有技术方法，这些技术的组合提供了一种强大的通用方法，用于小环肽的溶液和固相合成。本发明的环收缩和N-酰胺取代技术提供了改进的环肽和肽类似物的合成方法。当与连接剂策略一起使用时，这种组合提供了固相途径到环肽和肽类似物。