ethyl 2-((S)-3-hydroxypropoxy)propanoate | 730984-88-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 2-((S)-3-hydroxypropoxy)propanoate
• 英文别名: ethyl (2S)-2-(3-hydroxypropoxy)propanoate
• CAS: 730984-88-0
• 化学式: C₈H₁₆O₄
• 分子量: 176.213
• InChiKey: KDURYBZDUUUCLL-ZETCQYMHSA-N

物化性质

• 沸点：
  263.8±15.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 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：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-((S)-3-hydroxypropoxy)propanoate 在 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 ethyl (2S)-2-(3-acetylsulfanylpropoxy)propanoate
  参考文献：
  名称：

  Antibody drug conjugate, intermediate, preparation method, pharmaceutical composition and uses thereof

  摘要：

  披露了一种抗体药物偶联物IB，它使用醚键连接，提高了体内和体外的水溶性、稳定性和细胞毒性，以及一种中间体、药物组合物和抗体药物偶联物的用途。该抗体药物偶联物具有简单的合成步骤和高产率。

  公开号：

  US10449258B2
• 作为产物：
  描述：

  ethyl [2-(S)-allyloxy]propanoate 在 diborane(6) 、 双氧水 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 ethyl 2-((S)-3-hydroxypropoxy)propanoate
  参考文献：
  名称：

  Antibody drug conjugate, intermediate, preparation method, pharmaceutical composition and uses thereof

  摘要：

  披露了一种抗体药物偶联物IB，它使用醚键连接，提高了体内和体外的水溶性、稳定性和细胞毒性，以及一种中间体、药物组合物和抗体药物偶联物的用途。该抗体药物偶联物具有简单的合成步骤和高产率。

  公开号：

  US10449258B2

文献信息

• Isotactic Polymers with Alternating Lactic Acid and Oxetane Subunits from the Endoentropic Polymerization of a 14-Membered Ring
  作者：Donghui Zhang、Jianyan Xu、Luis Alcazar-Roman、Loren Greenman、Christopher J. Cramer、Marc A. Hillmyer、William B. Tolman

  DOI：10.1021/ma049571s

  日期：2004.7.1

  A new isotactic, perfectly alternating polymer of (S)-lactic acid and oxetane was synthesized by the entropically driven ring-opening polymerization of a 14-membered cyclic diester (S,S-3) mediated by a zinc alkoxide catalyst. The polymer (S,S-PMOD) was characterized by NMR spectroscopy, size exclusion chromatography, and matrix-assisted laser desorption ionization mass spectrometry. Under polymerization conditions the equilibrium concentration (0.17 +/- 0.05 M) of the monomer in toluene was essentially independent of temperature, and the average thermodynamic parameters for the ring-opening polymerization were found to be DeltaH(p)degrees = 0.2 +/- 0.7 kJ mol(-1) and DeltaS(p)degrees = +16 +/- 2 J mol(-1) K-1 (standard state [S,S-3] = 1.0 M). Theoretical calculations of the standard state enthalpy (DeltaH(p)degrees) for ring-opening polymerization of various oxocyclics, including S,S-3, were well-correlated with experimental values. Kinetic studies showed that the polymerization of S,S-3 was slower (k(p) = 0.82 +/- 0.04 M-1 s(-1) and k(dp) = 0.12 +/- 0.04 s(-1) at 25 degreesC) than that of lactide (k(p) = 2.2 M-1 s(-1)) using the same zinc alkoxide catalyst. Differential scanning calorimetry of S,S-PMOD showed a glass transition temperature of -30 degreesC for samples with molecular weights between 5 and 72 kg mol-1. In support of the potential utility of S,S-PMOD as a PLA plasticizer, the complete miscibility of the polymeric components was demonstrated by the observation of single T-g values for a series of blends of S,S-PMOD and atactic PLA.
• ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF
  申请人：XDCEXPLORER (SHANGHAI) CO., LTD.

  公开号：US20180161446A1

  公开（公告）日：2018-06-14

  Disclosed are an antibody drug conjugate IB, which uses ether linkages for connection, and improves the water solubility, stability and cytotoxicity in vivo and in intro, and an intermediate, a pharmaceutical composition, and uses of the antibody drug conjugate. The antibody drug conjugate has simple synthetic steps and a high yield.