1-bromo-10-(ethylthio)decane | 115412-56-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-bromo-10-(ethylthio)decane
• 英文别名: 1-Bromo-10-ethylsulfanyldecane
• CAS: 115412-56-1
• 化学式: C₁₂H₂₅BrS
• 分子量: 281.3
• InChiKey: WEQNGDWAQRFVJC-UHFFFAOYSA-N

物化性质

• 沸点：
  325.4±15.0 °C(Predicted)
• 密度：
  1.108±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 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：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-bromo-10-(ethylthio)decane 在 2,6-二叔丁基吡啶 、 tert-butylammonium hexafluorophosphate(V) 作用下， 以 水 、 乙腈 为溶剂， 反应 5.0h， 生成 10-Ethanesulfinyl-decan-1-ol
  参考文献：
  名称：

  Aced, Ahmed; Anklam, Elke; Asmus, Klaus-Dieter, Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 48, # 1-4, p. 53 - 62

  摘要：

  DOI：
• 作为产物：
  描述：

  1,10-二溴癸烷 、 乙硫醇钠 以35%的产率得到
  参考文献：
  名称：

  ANKLAM, ELKE, SYNTHESIS,(1987) N 9, 841-843

  摘要：

  DOI：

文献信息

• Synthese von α-Halogen-ω-alkylthio-alkanen und α,ω-Bisalkylthio-alkanen
  作者：Elke Anklam

  DOI：10.1055/s-1987-28097

  日期：——

  Synthesis of α-Halogeno-ω-alkylthioalkanes and α,ω-Bisalkylthioalkanes The reaction of α,ω-dihalogenated alkanes [X(CH2)nX,,n = 3 - 10]with alkylthiolates affords α-halogeno-ω-alkylthioalkanes 1 as well as α,ω-bisalkylthioalkanes 2. Products 1 (40 examples) and 2 (22 examples) are easily isolated in good yields by flash chromatography.

  α-卤代-β-烷硫基烷和α,β-双烷硫基烷的合成 α,β-二卤代烷[X(CH2)nX，n = 3 - 10]与烷硫醇盐反应生成α-卤代-β-烷硫基烷1以及α,β-双烷硫基烷2。产品1（40个例子）和2（22个例子）通过闪式色谱法容易地分离，并获得良好的收率。
• [EN] HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS<br/>[FR] MODULATEURS DU RÉCEPTEUR HORMONAL POUR LE TRAITEMENT D'ÉTATS ET DE TROUBLES MÉTABOLIQUES
  申请人：ARDELYX INC

  公开号：WO2018039386A1

  公开（公告）日：2018-03-01

  The invention relates to activators of FXR useful in the treatment of autoimmune disorders, liver disease, intestinal disease, kidney disease, cancer, and other diseases in which FXR plays a role, having the Formula (I): (I), wherein L1, A, X1, X2, R1, R2, and R3 are described herein.

  这项发明涉及FXR的激活剂，可用于治疗自身免疫性疾病、肝病、肠道疾病、肾脏疾病、癌症以及FXR在其中发挥作用的其他疾病，其化学式为(I)：(I)，其中L1、A、X1、X2、R1、R2和R3如本文所述。
• Exposure of Self-Assembly Interiors to External Elements. A Kinetic Approach
  作者：Fredric M. Menger、Lei Shi

  DOI：10.1021/ja062807i

  日期：2006.7.1

  Five cationic surfactants, each bearing a single sulfur at various locations along their chains, were adsorbed into sodium dodecyl sulfate micelles. An oxidant, periodate, was added to the system, and the subsequent rate of thioether oxidation to sulfoxide, determined by NMR, was found to be diminished (more or less equally for all sulfur loci) by 2 orders of magnitude. In contrast, rates of hydrogen peroxide oxidation were hardly perturbed by micellization. Once again, however, there was no rate dependence on sulfur location within the chains. These results are interpreted in terms of a disordered micelle in which all chain positions have roughly equivalent access to the micelle surface. The kinetic method for assessing exposure to the external medium is applicable to self-assemblies and polymer systems wherever the NMR resolution so permits.
• HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS
  申请人：Ardelyx, Inc.

  公开号：EP3504205A1

  公开（公告）日：2019-07-03