2-(chloromethyl)-2-methyl-1,3-propanediol | 21139-44-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(chloromethyl)-2-methyl-1,3-propanediol
• 英文别名: 2-Chloromethyl-2-methyl-1,3-propanediol；2-chloromethyl-2-methyl-propane-1,3-diol；2-Chlormethyl-2-methyl-propandiol-(1.3)；2-Methyl-2-chlormethyl-propan-1,3-diol；2-Chlormethyl-2-methyl-1,3-propandiol；2-Methyl-2-chlormethyl-1,3-propandiol；2-(Chloromethyl)-2-methylpropane-1,3-diol
• CAS: 21139-44-6
• 化学式: C₅H₁₁ClO₂
• mdl: MFCD19232205
• 分子量: 138.594
• InChiKey: OZOIZHOXUSCSTC-UHFFFAOYSA-N

物化性质

• 沸点：
  269.1±20.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(chloromethyl)-2-methyl-1,3-propanediol 在 吡啶 、 三氯化磷 作用下， 以 乙醚 为溶剂， 生成 2-chloro-5-chloromethyl-5-methyl-[1,3,2]dioxaphosphinane
  参考文献：
  名称：

  Structural implications of nuclear magnetic resonance studies on 1-R-1-phospha-2,6-dioxacyclohexanes

  摘要：

  DOI：

  10.1021/ja00727a018
• 作为产物：
  描述：

  1,1,1-三(羟甲基)乙烷 生成 2-(chloromethyl)-2-methyl-1,3-propanediol
  参考文献：
  名称：

  Structural implications of nuclear magnetic resonance studies on 1-R-1-phospha-2,6-dioxacyclohexanes

  摘要：

  DOI：

  10.1021/ja00727a018

文献信息

• Synthesis and polymerization of alkyl halide-functional cyclic carbonates
  作者：Jonas Mindemark、Tim Bowden

  DOI：10.1016/j.polymer.2011.10.027

  日期：2011.11

  comprising methyl or ethyl moieties, respectively, in the backbone. The monomers were further copolymerized with trimethylene carbonate to form random copolymers. Even among some of these random copolymers elements of semicrystallinity were found as confirmed by melting endotherms in DSC. The results clearly show that the incorporation of alkyl halide functionalities in aliphatic polycarbonates may lead

  为了增加功能性脂族聚碳酸酯的多样性，合成了一系列新型的氯和溴官能的六元环状碳酸酯单体。尽管单体官能度不对称，但是单体的均聚提供了具有从熔体结晶和/或从THF溶液中沉淀的高趋势的半结晶聚碳酸酯。对于骨架中分别包含甲基或乙基部分的聚合物，熔点在90-105°C或120-155°C范围内。单体进一步与碳酸三亚甲基酯共聚形成无规共聚物。甚至在这些无规共聚物中的一些中，也发现了半结晶性元素，这通过在DSC中熔化吸热来证实。
• CONTACT-KILLING, QAC FUNCTIONALIZED THERMOPLASTIC POLYURETHANE FOR CATHETER APPLICATIONS
  申请人：THE UNIVERSITY OF AKRON

  公开号：US20190106525A1

  公开（公告）日：2019-04-11

  In various embodiments, the present invention provides a functionalized thermoplastic polyurethane (TPU) containing bulk incorporated or surface-grafted quaternary ammonium compounds (QAC)s for contact-killing of a variety of microbes, where the QACs are on the surface of TPU to provide a sterile surface material that prevents bacteria commonly involved in device-associated infections (DAIs) from proliferating. The functionalized TPUs of the present invention can be formed into a wide variety of 3-dimensional shapes, such as catheters, medical tubing, laryngeal or tracheal stents, sutures, prosthetics, wound dressings, and/or a coating for medical devices and contains the residue of either a QAC containing diol monomer or an alkene functional diol monomer, which then allows the TPU to be functionalized with a QAC containing disulfide or free thiol compound, to form a quaternary ammonium functionalized thermoplastic polyurethane compound having antimicrobial properties for use in medical devices.

  在各种实施方式中，本发明提供了一种功能化的热塑性聚氨酯（TPU），其中包含大量引入或表面接枝的季铵化合物（QAC），用于接触杀灭多种微生物，其中QAC位于TPU表面，以提供一种无菌表面材料，防止通常涉及设备相关感染（DAIs）的细菌繁殖。本发明的功能化TPU可以形成多种三维形状，例如导管、医疗管、喉部或气管支架、缝合线、假体、伤口敷料和/或医疗设备的涂层，并包含含有二醇单体或烯功能二醇单体的QAC残留物，这使得TPU可以用含有二硫键或自由巯基化合物的QAC进行功能化，以形成具有用于医疗设备的抗菌性能的季铵功能化热塑性聚氨酯化合物。
• Cyclic organophosphorus compounds. Part XI. Stereoisomeric aralkyl phosphonates of the 1,3,2-dioxaphosphorinan series
  作者：R. S. Edmundson、E. W. Mitchell

  DOI：10.1039/j39700000752

  日期：——

  New, configurationally isomeric phosphonates of the 5,5-disubstituted 2-oxo-1,3,2-dioxaphosphorinan series have been prepared. Variable-temperature studies and ABX analyses of the 1H n.m.r. spectra suggest that they are conformationally mobile systems.

  已经制备了5，5-二取代的2-氧代-1，3，2-二氧杂磷酰亚氨基系列的新的构型异构的膦酸酯。1 H nmr光谱的可变温度研究和ABX分析表明，它们是构象上可移动的系统。
• Contact-killing, QAC functionalized thermoplastic polyurethane for catheter applications
  申请人：THE UNIVERSITY OF AKRON

  公开号：US11155668B2

  公开（公告）日：2021-10-26

  In various embodiments, the present invention provides a functionalized thermoplastic polyurethane (TPU) containing bulk incorporated or surface-grafted quaternary ammonium compounds (QAC)s for contact-killing of a variety of microbes, where the QACs are on the surface of TPU to provide a sterile surface material that prevents bacteria commonly involved in device-associated infections (DAIs) from proliferating. The functionalized TPUs of the present invention can be formed into a wide variety of 3-dimensional shapes, such as catheters, medical tubing, laryngeal or tracheal stents, sutures, prosthetics, wound dressings, and/or a coating for medical devices and contains the residue of either a QAC containing diol monomer or an alkene functional diol monomer, which then allows the TPU to be functionalized with a QAC containing disulfide or free thiol compound, to form a quaternary ammonium functionalized thermoplastic polyurethane compound having antimicrobial properties for use in medical devices.

  在各种实施例中，本发明提供了一种功能化热塑性聚氨酯（TPU），其中含有用于接触杀灭各种微生物的批量掺入或表面接枝的季铵化合物（QAC），其中 QAC 位于 TPU 表面，以提供一种无菌表面材料，防止常见于设备相关感染（DAI）的细菌增殖。本发明的功能化热塑性聚氨酯可制成各种三维形状，如导管、医用管道、喉或气管支架、缝合线、假肢、伤口敷料和/或医疗器械涂层，并含有含 QAC 的二元醇单体或烯功能二元醇单体的残留物、这样，热塑性聚氨酯就可以与含有二硫化物或游离硫醇化合物的 QAC 进行官能化，形成具有抗菌特性的季铵官能化热塑性聚氨酯化合物，用于医疗器械。
• Bolotov, A. A.; V'yunov, K. A.; Ginak, A. I., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 335 - 339
  作者：Bolotov, A. A.、V'yunov, K. A.、Ginak, A. I.

  DOI：——

  日期：——