2-mercaptoethyl hexanoate | 22909-86-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-mercaptoethyl hexanoate
• 英文别名: Mercaptoethyl caproate；2-sulfanylethyl hexanoate
• CAS: 22909-86-0
• 化学式: C₈H₁₆O₂S
• 分子量: 176.28
• InChiKey: LSZCIZOHKPPEJD-UHFFFAOYSA-N

物化性质

• 沸点：
  235.3±23.0 °C(Predicted)
• 密度：
  0.989±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  2-mercaptoethyl hexanoate 在 安息香双甲醚 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  壳形成嵌段从线性到V形的结构变化加快了胶束的分解，但减慢了两亲物的完全酶促降解。

  摘要：

  调节聚合物两亲物及其组装体的酶促降解和分解速度对于设计用于可控药物递送应用的酶反应性纳米载体至关重要。控制两亲性聚合物酶促降解的常用方法是调节亲水性和疏水性嵌段的分子量和比例。除了这些方法之外，亲水性嵌段的结构还可以用作调节酶促降解和分解的工具。为了更深入地了解亲水性嵌段分子结构的影响，我们制备了两种定义明确的带有线性或V型PEG链的PEG-树枝状两亲物作为亲水性嵌段。这些两亲分子具有很高的分子精度，它是通过利用树枝状分子作为疏水性嵌段而出现的，它使我们能够以高分辨率研究两种类型的两亲物的自组装和酶促降解与分解。有趣的是，与基于线性PEG的两亲物相比，V形两亲物的胶束明显更小且分解速度更快。但是，对于V形两亲物，疏水端基的完全酶切明显较慢。我们的结果表明，V形结构可以稳定单体状态，因此在酶促降解和诱导的拆解中起着双重作用，以及如何利用它来控制封装或结合的分子货物的释放。使我们能够以高分辨率

  DOI：

  10.1021/acs.biomac.0c00882
• 作为产物：
  描述：

  2-(tritylthio)ethyl hexanoate 在 三乙基硅烷 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以81%的产率得到2-mercaptoethyl hexanoate
  参考文献：
  名称：

  调节聚合物两亲物的分子量，以此作为获得具有广泛酶促降解速率的胶束的工具†

  摘要：

  Enyzme反应性聚合物组件由于疾病相关酶的过表达而在生物医学应用中具有巨大潜力，而疾病相关酶的过表达仅可在患病组织中用于激活此类系统。在本文中，我们证明了具有相同亲水/疏水比的聚合物两亲物的总分子量可以被调节以产生具有极高降解速率范围的聚合物胶束。这种方法扩展了可调整的分子参数集，以调节聚合物组件的降解速率，为合理设计降解速率可控的聚合物系统提供了新的可能性。

  DOI：

  10.1039/c8cc02415d

文献信息

• Latent mercaptans as multi-functional additives for halogen-containing polymer compositions
  申请人：——

  公开号：US20030216493A1

  公开（公告）日：2003-11-20

  Halogen-containing polymer compositions comprising a latent mercaptan-containing heat stabilizer composition substantially free from the offensive odor typically associated with mercaptans are protected during processing by the degradation products of the latent (i.e., blocked) mercaptan which include a free mercaptan. Other products of the degradation are believed to include carbocations of the blocking moiety which are stabilized by a molecular structure in which the electron deficiency is shared by several groups. The latent mercaptan may be the sole heat stabilizer additive but the free mercaptan released during processing may also synergize the activity of metal-based heat stabilizers such as metal salts and organometallic stabilizers such as organotin carboxylates and mercaptides in the polymer composition. The odor of primary mercaptan-containing heat stabilizers in halogenated polymer compositions is masked by a small amount of a latent mercaptan. The latent mercaptans also serve as intermediates in the preparation of anti-oxidants, anti-microbial agents, photostabilizers, and primary heat stabilizers. Highly effective heat stabilizers are prepared by the condensation of formaldehyde and a para-phenol and further condensation of the crude product with a mercapto-containing compound.

  含卤素聚合物组合物包括一种潜在的巯基含量热稳定剂组合物，该组合物基本上不含有通常与巯基相关联的刺激性气味，在加工过程中通过潜在（即被阻断的）巯基的降解产物（包括自由巯基）来保护。降解的其他产物被认为包括阻断基的碳正离子，其通过电子亏损由几个基团共享的分子结构稳定。潜在巯基可以是唯一的热稳定剂添加剂，但在加工过程中释放的自由巯基也可以协同作用于金属基热稳定剂，如金属盐和有机金属稳定剂，如有机锡羧酸盐和巯基化合物在聚合物组合物中的活性。通过少量潜在巯基掩盖含有主要巯基热稳定剂的卤化聚合物组合物的气味。潜在巯基还可用作抗氧化剂、抗微生物剂、光稳定剂和主要热稳定剂的制备中间体。通过甲醛和对苯酚的缩合，并将粗产品与含巯基的化合物进一步缩合，可以制备高效的热稳定剂。
• LATENT MERCAPTANS AS MULTI-FUNCTIONAL ADDITIVES FOR HALOGEN-CONTAINING POLYMER COMPOSITIONS
  申请人：——

  公开号：US20020068780A1

  公开（公告）日：2002-06-06

  Halogen-containing polymer compositions comprising a latent mercaptan-containing heat stabilizer composition substantially free from the offensive odor typically associated with mercaptans are protected during processing by the degradation products of the latent (i.e., blocked) mercaptan which include a free mercaptan. Other products of the degradation are believed to include carbocations of the blocking moiety which are stabilized by a molecular structure in which the electron deficiency is shared by several groups. The latent mercaptan may be the sole heat stabilizer additive but the free mercaptan released during processing may also synergize the activity of metal-based heat stabilizers such as metal salts and organometallic stabilizers such as organotin carboxylates and mercaptides in the polymer composition. The odor of primary mercaptan-containing heat stabilizers in halogenated polymer compositions is masked by a small amount of a latent mercaptan. The latent mercaptans also serve as intermediates in the preparation of anti-oxidants, anti-microbial agents, photostabilizers, and primary heat stabilizers. Highly effective heat stabilizers are prepared by the condensation of formaldehyde and a para-phenol and further condensation of the crude product with a mercapto-containing compound.

  含卤素的聚合物组合物包括一种潜在的巯基含量热稳定剂组合物，该组合物基本上不含通常与巯基相关的刺激性气味，通过潜在（即阻塞）巯基的降解产物，包括自由巯基，来保护加工过程中的聚合物组合物。降解的其他产物被认为包括阻塞基的碳正离子，其由多个基团共享电子亏损的分子结构稳定。潜在巯基可以是唯一的热稳定剂添加剂，但在加工过程中释放的自由巯基也可以协同金属基热稳定剂（如金属盐）和有机金属稳定剂（如有机锡羧酸盐和巯基化合物）的活性。在卤化聚合物组合物中，主要巯基含量热稳定剂的气味被少量潜在巯基掩盖。潜在巯基还可用作抗氧化剂、抗微生物剂、光稳定剂和主要热稳定剂的制备中间体。通过甲醛和对苯酚的缩聚，并将粗品与含巯基化合物进一步缩聚，制备出高效的热稳定剂。
• Stabilizers for halogen-containing polymers
  申请人：MORTON INTERNATIONAL, INC.

  公开号：EP0254392A2

  公开（公告）日：1988-01-27

  A stabilizing composition for halogen-containing polymers, comprising a diorganotin oxide compound such as dibutyl or dioctyl tin oxide, an ethylenically unsaturated dicarboxylic acid ester compound such as dibutyl or dioctyl maleate and a mercaptan-containing organic compound such as isooctyl mercaptopropionate.

  一种用于含卤聚合物的稳定组合物，包括二甘醇锡氧化物化合物（如二丁基或二 辛基氧化锡）、乙烯不饱和二羧酸酯化合物（如马来酸二丁酯或马来酸二辛 酯）和含硫醇的有机化合物（如巯基丙酸异辛酯）。
• Improved PVC foam compositions
  申请人：MORTON INTERNATIONAL, INC.

  公开号：EP0850987A1

  公开（公告）日：1998-07-01

  The density of rigid foamed articles made by the thermal decomposition of a blowing agent in a vinyl chloride polymer is reduced by the use of an organotin mercaptoalkylcarboxylate, alone, or in combination with an organotin halide or carboxylate which activate the blowing agent. Sulfides made from said organotin mercaptoalkylcarboxylate are also superior activators of the blowing agent.

  单独使用有机锡巯基烷基羧酸盐，或与有机锡卤化物或羧酸盐结合使用，可激活发泡剂，从而降低通过发泡剂在氯乙烯聚合物中的热分解制成的硬质发泡物品的密度。由上述有机锡巯基烷基羧酸酯制成的硫化物也是发泡剂的优质活化剂。
• A latent mercaptan as a heat stabilizer
  申请人：MORTON INTERNATIONAL, INC.

  公开号：EP0890608A2

  公开（公告）日：1999-01-13

  Both flexible and rigid vinyl chloride polymer compositions comprising a latent mercaptan-containing heat stabilizer are substantially free from the offensive odour typically associated with mercaptans and are protected during processing by the degradation products of the latent (i.e. blocked) mercaptan which include a free mercaptan. The free mercaptan thus released enhances the activity of metallic-based heat stabilizers such as zinc carboxylates and organotin carboxylates and mercaptides in the polymer composition. Other products of the degradation are believed to include carbocations of the blocking moiety which are stabilized by a molecular structure in which the electron deficiency is shared by several groups. The latent mercaptan comprises a 2-S-(tetrahydropyranyl)-thioalkanol or a carboxylic acid ester thereof.

  含有潜伏硫醇热稳定剂的软质和硬质氯乙烯聚合物组合物基本上没有通常与硫醇有关的刺激性气味，并且在加工过程中受到潜伏（即被阻断）硫醇降解产物（包括游离硫醇）的保护。由此释放出的游离硫醇可增强聚合物成分中金属基热稳定剂（如羧酸锌、有机锡羧酸盐和硫醇）的活性。降解的其他产物据信还包括封端分子的碳基，这些碳基通过分子结构得到稳定，在这种结构中，电子缺陷由多个基团共享。潜在硫醇包括 2-S-（四氢吡喃基）硫代烷醇或其羧酸酯。