2-(((tert-butyl(diphenyl)silyl)oxy)methyl)-2-(hydroxymethyl)propane-1,3-diol | 183236-36-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 2-(((tert-butyl(diphenyl)silyl)oxy)methyl)-2-(hydroxymethyl)propane-1,3-diol
• 英文别名: 1-t-Butyl-diphenylsilyloxy-2,2-dihydroxymethyl-3-propanol；2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)propane-1,3-diol
• CAS: 183236-36-4
• 化学式: C₂₁H₃₀O₄Si
• 分子量: 374.552
• InChiKey: XRUKRHRODJYZKK-UHFFFAOYSA-N

物化性质

• 熔点：
  69-72 °C
• 沸点：
  496.1±45.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.53
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  69.9
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(((tert-butyl(diphenyl)silyl)oxy)methyl)-2-(hydroxymethyl)propane-1,3-diol 在 硝酸 、 乙酸酐 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以88.6%的产率得到2,2-dimethyl-1-nitrooxy-2,2-bis(nitrooxymethyl)-4-oxa-5,5-diphenyl-5-silaheptane
  参考文献：
  名称：

  Nitrostated and nitrosylated prostaglandins, compositions and methods of use

  摘要：

  本发明描述了新型亚硝酸化和/或亚硝基化前列腺素，以及包含至少一种亚硝酸化和/或亚硝基化前列腺素的新型组合物，可选择地还包括至少一种捐赠、转移或释放一氧化氮、提高内源性内皮源性舒张因子水平、刺激内源性一氧化氮合成或是一氧化氮合酶底物的化合物，和/或至少一种血管活性药物。本发明还提供了包含至少一种前列腺素和至少一种S-亚硝基硫醇化合物的新型组合物，可选择地还包括至少一种血管活性药物。前列腺素最好是前列腺素E1化合物，更好的是前列腺素E1的异前列腺素，S-亚硝基硫醇化合物最好是S-亚硝基谷胱甘肽。本发明还提供了治疗或预防男性和女性性功能障碍、增强男性和女性性反应以及治疗或预防脑血管疾病、心血管疾病、良性前列腺增生（BPH）、青光眼、消化性溃疡或引发流产的方法。本发明的化合物和/或组合物也可以以药物配套的形式提供。

  公开号：

  US07176238B1
• 作为产物：
  描述：

  叔丁基二苯基氯硅烷 在 咪唑 、 水 作用下， 生成 2-(((tert-butyl(diphenyl)silyl)oxy)methyl)-2-(hydroxymethyl)propane-1,3-diol
  参考文献：
  名称：

  Synthesis and structure of 2-aryl-5,5-disubstituted-1,3-dioxanes and conversion into chiral (1,1,1-trishydroxymethyl) methane derivatives

  摘要：

  Pentaerythritol, (1,1,1-trishydroxymethyl)methyl methane and ( 1, 1,1-trishydroxymethyl)nitro methane are converted into 2-aryl-5.5-bis(hydroxymethyl), 2-aryl-5-hydroxymethyl-5-methyl- or 2-aryl-5-hydroxymethyl-5-nitro-1,3-dioxanes and a range of derivatives. X-Ray and NMR analysis establishes that the latter is obtained as a single diastereomer whose structure is unambiguously determined. These materials can be elaborated to chiral derivatives of the starting (1.1.1-trishydroxymethyl) methanes. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00176-4

文献信息

• Novel drug delivery compositions
  申请人：Wiebe Leonard

  公开号：US20070021380A1

  公开（公告）日：2007-01-25

  The present invention provides for a novel molecules useful for delivery of compounds to a mammal, more particularly for the intracellular delivery of nucleotides, nucleotide analogues or compounds with a heterocyclic base. Also provided for are novel therapeutic complexes comprising novel molecules complexed with nucleotide analogues or heterogeneous or homogenous oligomers comprised of nucleotide analogues.

  本发明提供了一种新型分子，用于将化合物传递给哺乳动物，更具体地用于核苷酸、核苷酸类似物或具有杂环碱基的化合物的细胞内传递。还提供了包括与核苷酸类似物或由核苷酸类似物组成的异质或同质寡聚体形成的新型治疗复合物。
• A Pentaerythritol-Based Molecular Scaffold for Solid-Phase Combinatorial Chemistry
  作者：Nadia Farcy、Hilde De Muynck、Annemieke Madder、Noël Hosten、Pierre J. De Clercq

  DOI：10.1021/ol016980p

  日期：2001.12.1

  A convergent synthesis has been developed for the preparation of solid-phase bound construct 1, consisting of an orthogonally protected trifunctional core structure that is attached to TentaGel via a photocleavable linker. [structure: see text]

  已经开发了收敛性合成用于制备固相结合的构建体1，该构建体1包括通过光可裂解的接头与TentaGel连接的正交保护的三官能核心结构。[结构：见文字]
• NUCLEOSIDE ANALOGUES OR SALTS THEREOF
  申请人：Gifu University

  公开号：EP1798225A1

  公开（公告）日：2007-06-20

  It is an object to provide a nucleoside analog that can produce an oligonucleotide analog in which the two properties of chemical and biological stability, and the ability to form double strands, are excellent, and an oligonucleotide analog that includes that nucleoside analog. This is achieved by a nucleoside analog or salt thereof represented by Formula (1) below, in which, in Formula (1), R1 is any group selected from the group consisting of the group of Formula (1), the group of Formula (2), the group of Formula (3), the group of Formula (4), the group of Formula (5), the group of Formula (6), the group of Formula (7), the group of Formula (8), and any of these groups whose functional group has been protected by a protecting group, and k, l, m, and n are each independently an integer from 1 to 10.

  提供一种能够产生具有优异化学和生物稳定性以及形成双链的两个特性的寡核苷酸类似物的核苷类似物的目标对象，以及包括该核苷类似物的寡核苷酸类似物。通过以下式（1）所代表的核苷类似物或其盐实现这一目标，其中在式（1）中，R1是从以下组中选择的任意基团：式（1）的基团、式（2）的基团、式（3）的基团、式（4）的基团、式（5）的基团、式（6）的基团、式（7）的基团、式（8）的基团，以及这些基团中具有保护基团保护的任何基团，k、l、m和n分别独立地为1到10之间的整数。
• CATIONIC LIPIDS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20200331841A1

  公开（公告）日：2020-10-22

  The present invention provides a technique that enables introduction of active ingredients, in particular, nucleic acids, into cells with superior efficiency; and cationic lipids, etc., for use in the technique. The compound or a salt thereof according to the present invention is a compound represented by formula (I) or a salt thereof. In formula (I), n represents an integer of 2 to 5, R represents a linear C 1-5 alkyl group, a linear C 7-11 alkenyl group, or a linear C 11 alkadienyl group, and wavy lines each independently represent a cis-bond or a trans-bond.

  本发明提供了一种技术，能够以优越的效率将活性成分，特别是核酸，引入细胞中；以及用于该技术的阳离子脂质等。根据本发明的化合物或其盐是由式（I）表示的化合物或其盐。在式（I）中，n代表2到5的整数，R代表线性C1-5烷基基团、线性C7-11烯基基团或线性C11烯二烯基团，波浪线各自独立表示顺式键或反式键。
• Synthesis of chemically and functionally diverse scaffolds from pentaerythritol
  作者：Stephen Hanessian、Hubli Prabhanjan、Dongxu Qiu、Sudhir Nambiar

  DOI：10.1139/v96-191

  日期：1996.9.1

  Pentaerythritol (2,2-bis-hydroxymethyl-propane-1,3-diol) was converted into a series of mono-, di-, and trisubstituted derivatives, comprising allyl ethers and amino-alkyl ethers, by systematic chemical manipulation of the hydroxy groups. The remaining hydroxymethyl group in the case of the trisubstituted analog was functionalized with ether groups bearing terminal ω-carboxyl or ω-alkene groups. These derivatives are versatile templates and scaffolds for single, double, or triple substitution with appropriate ligands forming amides and esters, and allowing the attachment of the ω-alkene or ω-carboxyl group to solid support for combinatorial chemistry. Key words: molecular diversity, scaffolds, templates and tris(2-aminoethyl)-pentaerythritol.

  对五羟甲基对羟基甲基丙烷-1,3-二醇（戊二醇）进行了一系列单取代、双取代和三取代衍生物的转化，包括烯丙基醚和氨基烷基醚，通过系统化地对羟基进行化学改性。在三取代类似物中剩余的羟基甲基基团被功能化为带有末端ω-羧基或ω-烯基基团的醚基团。这些衍生物是多功能的模板和支架，可以与适当的配体进行单、双或三次取代，形成酰胺和酯，并允许将ω-烯基或ω-羧基基团连接到固体支持物上进行组合化学。关键词：分子多样性、支架、模板和三（2-氨基乙基）-戊二醇。