3-methyloxetan-3-ylmethyl propionate | 497870-30-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环丁烷
• 英文名称: 3-methyloxetan-3-ylmethyl propionate
• 英文别名: (3-methyloxetan-3-yl)methyl propanoate
• CAS: 497870-30-1
• 化学式: C₈H₁₄O₃
• 分子量: 158.197
• InChiKey: YEVJEUYVDVCBQL-UHFFFAOYSA-N

物化性质

• 沸点：
  189.8±13.0 °C(Predicted)
• 密度：
  1.023±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyloxetan-3-ylmethyl propionate 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以90%的产率得到1-ethyl-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
  参考文献：
  名称：

  Isomerization of cyclic ethers having a carbonyl functional group: new entries into different heterocyclic compounds

  摘要：

  Oxiranes (epoxides) and oxetanes having a carbonyl functional group are chemoselectively isomerized to different heterocyclic compounds via Lewis acid-promoted 1,6- and 1,7-intramolecular nucleophilic attacks of the carbonyl oxygen on the electron-deficient carbon neighboring the oxonium oxygen: for example, cyclic imides to bicyclic acetals, esters to bicyclic orthoesters, sec-amides to 4,5-dihydrooxazole or 5,6-dihydro-4H-1,3-oxazines, and tert-amides to bicyclic acetals or azetidines. The intramolecular attack of a 1,5-positioned carbonyl oxygen predominantly results in a propagating-end isomerization polymerization. On the other hand, cyclic ethers having a 1,8- or farther positioned carbonyl group undergo conventional ring-opening polymerization. A tetrahydrofuran (oxolane) ring does not open, even with a 1,6-positioned carbonyl group. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00701-9
• 作为产物：
  描述：

  3-甲基-3-羟甲基氧杂环丁烷 、 丙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以37%的产率得到3-methyloxetan-3-ylmethyl propionate
  参考文献：
  名称：

  Isomerization of cyclic ethers having a carbonyl functional group: new entries into different heterocyclic compounds

  摘要：

  Oxiranes (epoxides) and oxetanes having a carbonyl functional group are chemoselectively isomerized to different heterocyclic compounds via Lewis acid-promoted 1,6- and 1,7-intramolecular nucleophilic attacks of the carbonyl oxygen on the electron-deficient carbon neighboring the oxonium oxygen: for example, cyclic imides to bicyclic acetals, esters to bicyclic orthoesters, sec-amides to 4,5-dihydrooxazole or 5,6-dihydro-4H-1,3-oxazines, and tert-amides to bicyclic acetals or azetidines. The intramolecular attack of a 1,5-positioned carbonyl oxygen predominantly results in a propagating-end isomerization polymerization. On the other hand, cyclic ethers having a 1,8- or farther positioned carbonyl group undergo conventional ring-opening polymerization. A tetrahydrofuran (oxolane) ring does not open, even with a 1,6-positioned carbonyl group. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00701-9

文献信息

• ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE
  申请人：Ishitsuka Kenichi

  公开号：US20130037753A1

  公开（公告）日：2013-02-14

  Disclosed is an organic electronic material comprising charge transporting compounds and ionic compounds having electron-accepting properties and high solubility in a solvent. The organic electronic material is characterized by comprising charge transporting compounds and ionic compounds, and in that at least one of the ionic compounds is any one kind of compounds represented by general formulas (1b)-(3b). (In the formulas Y 1 -Y 6 each independently represent a divalent linking group, R 1 -R 6 each independently represent an electron-attracting organic substituent (these structures can further have substituents and hetero-atoms, and R 1 , R 2 and R 3 , or, R 4 -R 6 can respectively combine and become a ring shape or a polymer shape) and L + represents a monovalent cation.)

  本文揭示了一种有机电子材料，包括具有电荷传输化合物和具有接受电子性质且在溶剂中具有高溶解度的离子化合物。该有机电子材料的特点在于包括电荷传输化合物和离子化合物，并且至少其中一个离子化合物是由通用式（1b）-（3b）表示的化合物中的任意一种。（在式中，Y1-Y6分别表示二价连接基团，R1-R6分别表示吸引电子的有机取代基（这些结构可以进一步具有取代基和杂原子，且R1、R2和R3，或者R4-R6可以分别结合形成环状或聚合物形状），L+表示一价阳离子。）
• 3-Methyl Oxetanemethanol Derivatives and Their Use in Perfume Compositions
  申请人：Levorse T. Anthony

  公开号：US20070265180A1

  公开（公告）日：2007-11-15

  The present invention relates to new 3-methyl oxetanemethanol derivatives and their use as fragrance chemicals suitable for incorporation in fine fragrances, cosmetics, toiletries and related applications.

  本发明涉及新的3-甲基氧杂环甲醇衍生物及其用作适合用于精细香料、化妆品、洗涤用品及相关应用的香料化学品。
• Organic Electronic Material, Ink Composition Containing Same, and Organic Thin Film, Organic Electronic Element, Organic Electroluminescent Element, Lighting Device, and Display Device Formed Therewith
  申请人：Funyuu Shigeaki

  公开号：US20120074360A1

  公开（公告）日：2012-03-29

  Provided are: an organic electronic material which can be easily multilayered and that can be used in substrates, such as resin, that cannot be processed at high temperatures; an ink composition containing the same; an organic thin film formed using said organic electronic material or said ink composition; and an organic electronic element and an organic EL element that are formed using said organic thin film and that have a superior luminous efficacy and emission lifespan than conventional elements. Specifically, provided are: an organic electronic material that is characterized by containing an oligomer or a polymer having a structure that branches into three or more directions and has at least one polymerizable substituent; an ink composition containing said organic electronic material; and an organic thin film prepared using the aforementioned organic electronic material. Further, provided are an organic electronic element and an organic electroluminescent element containing said organic thin film.

  提供了以下内容：一种有机电子材料，可以轻松地多层堆叠，并可用于无法在高温下加工的基板，例如树脂；包含相同材料的墨水组合物；使用该有机电子材料或该墨水组合物形成的有机薄膜；以及使用该有机薄膜形成的有机电子元件和有机EL元件，其具有比传统元件更优异的发光效率和发射寿命。具体而言，提供了一种有机电子材料，其特征在于包含具有分支结构且向三个或更多方向分支的寡聚物或聚合物，并具有至少一个可聚合取代基；包含该有机电子材料的墨水组合物；以及使用上述有机电子材料制备的有机薄膜。此外，还提供了包含该有机薄膜的有机电子元件和有机电致发光元件。
• Compositions and Methods for Modification of Biomolecules
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20160243135A1

  公开（公告）日：2016-08-25

  The present invention provides modified cycloalkyne compounds; and method of use of such compounds in modifying biomolecules. The present invention features a cycloaddition reaction that can be carried out under physiological conditions. In general, the invention involves reacting a modified cycloalkyne with an azide moiety on a target biomolecule, generating a covalently modified biomolecule. The selectivity of the reaction and its compatibility with aqueous environments provide for its application in vivo (e.g., on the cell surface or intracellularly) and in vitro (e.g., synthesis of peptides and other polymers, production of modified (e.g., labeled) amino acids).

  本发明提供了经过改性的环烷炔化合物；以及利用这些化合物修饰生物分子的方法。本发明特征在于可以在生理条件下进行的环加成反应。一般而言，本发明涉及将改性的环烷炔与目标生物分子上的偶氮基团反应，生成共价修饰的生物分子。该反应的选择性和其与水相环境的兼容性使其能够应用于体内（例如，细胞表面或细胞内）和体外（例如，合成肽和其他聚合物，生产改性的（例如，标记的）氨基酸）。
• PROCESS FOR THE PRODUCTION OF WATER-ABSORBING RESINS AND WATER-ABSORBING RESINS OBTAINED BY THE PROCESS
  申请人：Sumitomo Seika Chemicals CO. LTD.

  公开号：EP2204388A1

  公开（公告）日：2010-07-07

  A method for producing a water-absorbent resin, characterized by adding an oxetane compound represented by the following general formula (1): wherein R1 is an alkyl group having 1 to 6 carbon atoms; R2 is an alkanediyl group having 1 to 6 carbon atoms; and X is an atomic group containing at least one group selected from the group consisting of carbonyl group, phosphoryl group, and sulfonyl group, to a water-absorbent resin precursor obtainable by polymerizing water-soluble ethylenically unsaturated monomers, and subjecting the components to a post-crosslinking reaction while heating; and a water-absorbent resin obtainable by the method as defined above, characterized in that the water-absorbent resin has a water-retention capacity of physiological saline of 30 g/g or more, a water-absorption capacity of physiological saline under load of 2.07 kPa of 28 mL/g or more, and a water-soluble substance of 20% by mass or less. Since the water-absorbent resin obtained by the method of the present invention is excellent in various properties such as water-retention capacity and water-absorption capacity under load and also gives consideration to safety, such as having a reduced water-soluble substance, the water-absorbent resin can be preferably used, for example, in hygienic materials such as disposable diaper, incontinence pad and sanitary napkin, in particular, in disposable diaper.

  一种生产吸水性树脂的方法，其特征在于加入由下式通式(1)代表的氧杂环丁烷化合物： 其中 R1 是具有 1 至 6 个碳原子的烷基；R2 是具有 1 至 6 个碳原子的烷二基；X 是含有至少一个从羰基、磷酰基和磺酰基组成的组中选出的基团的原子基团；以及一种可通过上述方法获得的吸水性树脂，其特征在于该吸水性树脂对生理盐水的保水能力为 30 g/g 或以上，在 2.07 kPa 下生理盐水的吸水能力为 28 mL/g 或以上，水溶性物质的质量分数为 20% 或以下。由于通过本发明的方法获得的吸水性树脂在保水能力和负载下吸水能力等各种性能方面都很出色，而且还考虑到了安全性，例如具有较低的水溶性物质，因此该吸水性树脂可优先用于卫生材料，例如一次性尿布、失禁垫和卫生巾，特别是一次性尿布。