2beta,3beta,4alpha-三甲基氧杂环丁烷 | 53778-61-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环丁烷
• 中文名称: 2beta,3beta,4alpha-三甲基氧杂环丁烷
• 英文名称: 2,3,4-trimethyloxetane
• CAS: 53778-61-3；32347-12-9
• 化学式: C₆H₁₂O
• 分子量: 100.161
• InChiKey: HTCOCLGRYILICZ-UHFFFAOYSA-N

物化性质

• 沸点：
  93.4±8.0 °C(Predicted)
• 密度：
  0.821±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-甲基戊烷 在 氧气 作用下， 351.84 ℃ 、106.0 kPa 条件下， 生成 聚合甲醛 、 丙酸 、 溶剂黄146 、 乙烯酮 、 乙烯 、 乙醛 、 环氧乙烷 、 乙炔 、 甲醇 、 乙烷 、 methyloxirane 、 2-丁烯 、 丁烯酮 、 丙炔 、 1,3-丁二烯 、 丁酮 、 2-Methyl-2-ethyl-oxetan 、 丙二烯 、 3-ethyl tetrahydrofuran 、 四氢-4-甲基-2H-吡喃 、 2beta,3beta,4alpha-三甲基氧杂环丁烷 、 2,3-dimethyltetrahydrofuran 、 methane
  参考文献：
  名称：

  Experimental Investigation of the Low Temperature Oxidation of the Five Isomers of Hexane

  摘要：

  The low-temperature oxidation of the five hexane isomers (n-hexane, 2-methyl-pentane, 3-methyl-pentane, 2,2-dimethylbutane, and 2,3-dimethylbutane) was studied in a jet-stirred reactor (JSR) at atmospheric pressure under stoichiometric conditions between 550 and 1000 K. The evolution of reactant and product mole fraction profiles were recorded as a function of the temperature using two analytical methods: gas chromatography and synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). Experimental data obtained with both methods were in good agreement for the five fuels. These data were used to compare the reactivity and the nature of the reaction products and their distribution. At low temperature (below 800 K), n-hexane was the most reactive isomer. The two methyl-pentane isomers have about the same reactivity, which was lower than that of n-hexane. 2,2-Dimethylbutane was less reactive than the two methyl-pentane isomers, and 2,3-dimethylbutane was the least reactive isomer. These observations are in good agreement with research octane numbers given in the literature. Cyclic ethers with rings including 3, 4, 5, and 6 atoms have been identified and quantified for the five fuels. While the cyclic ether distribution was notably more detailed than in other literature of JSR studies of branched alkane oxidation, some oxiranes were missing among the cyclic ethers expected from methyl-pentanes. Using SVUV-PIMS, the formation of C-2-C-3 monocarboxylic acids, ketohydroperoxides, and species with two carbonyl groups have also been observed, supporting their possible formation from branched reactants. This is in line with what was previously experimentally demonstrated from linear fuels. Possible structures and ways of decomposition of the most probable ketohydroperoxides were discussed. Above 800 K, all five isomers have about the same reactivity, with a larger formation from branched alkanes of some unsaturated species, such as allene and propyne, which are known to be soot precursors.

  DOI：

  10.1021/jp503772h

文献信息

• Poly (3-(Substituted)-3(Hydroxymethyl) oxetane) and method of preparing same
  申请人：ARIZONA BOARD OF REGENTS

  公开号：EP0345073A1

  公开（公告）日：1989-12-06

  Poly[3,3-bis(hydroxymethyloxetane] ("PBHMO") is prepared in high molecular weight (ninh to 5.2) by polymerizing the trimethylsilylether of 3,3-bis (hydroxymethyl)oxetane with i-Bu₃Al-0.7 H₂O cationic catalyst at low temperature, followed by hydrolysis. PBHMO is crystalline, high melting (about 314oC), highly insoluble and useful in the production of films and fibers. Poly[3-methyl-3- (hydroxymethyl)oxetane] ("PMHMO") and poly [3-ethyl-3-(hydroxymethyl)oxetane] ("PEHMO") are also prepared in high molecular weight (ninh up to 3.8) by the same procedures. Copolymers of BHMO, MHMO, and EHMO with each other or containing up to about 50% of other oxetanes, oxiranes and tetrahydrofurans; derivatives and alloys from these polymers and copolymers; and methods of preparing the polymers, copolymers, alloys and derivatives into useful films, fibers and articles is described.

  聚[3,3-双（羟甲基）氧杂环丁烷]（"PBHMO"）是通过 i-Bu₃Al-0.7 H₂O 阳离子催化剂在低温下聚合 3,3-双（羟甲基）氧杂环丁烷的三甲基硅醚，然后进行水解，制备出高分子量（ninh 至 5.2）的聚[3,3-双（羟甲基）氧杂环丁烷]。PBHMO 呈结晶状，熔点高（约 314 摄氏度），极不溶解，可用于生产薄膜和纤维。聚[3-甲基-3-（羟甲基）氧杂环丁烷]（"PMHMO"）和聚[3-乙基-3-（羟甲基）氧杂环丁烷]（"PEHMO"）也可通过相同的程序制备出高分子量（ninh 高达 3.8）的聚[3-甲基-3-（羟甲基）氧杂环丁烷]（"PMHMO"）。此外，还介绍了 BHMO、MHMO 和 EHMO 与其他氧杂环丁烷、环氧乙烷和四氢呋喃的共聚物，以及这些聚合物和共聚物的衍生物和合金，以及将聚合物、共聚物、合金和衍生物制备成有用薄膜、纤维和物品的方法。
• High molecular weight polymers and copolymers of 3-hydroxyoxetane and derivatives thereof.
  申请人：ARIZONA BOARD OF REGENTS

  公开号：EP0345074A1

  公开（公告）日：1989-12-06

  High molecular weight (Mw > 25,000, preferably > 50,000; ninh up to 3) linear atactic poly (3-hydroxyoxetane) (PHO) are made by polymerizing the trimethylsilyl ether of 3-hydroxyoxetane with a coordination catalyst, or preferably with a cationic catalyst such as i-Bu₃Al-0.7 H₂O, followed by hydrolysis. The new polymer is atactic, highly crystalline, has a melting point of 155oC, is devoid of measurable end groups, has a two-peak ¹³C-NMR, and can be readily compression molded at 200oC to a film which can be drawn at room temperature to give enhanced strength. Isotactic high molecular weight PHO(mp = 223oC; ΔHf = 25.6 cal/g) and branched high molecular weight PHO are also prepared.

  高分子量（Mw > 25,000，最好 > 50,000；ninh 高达 3）线性无规聚（3-羟基氧杂环丁烷）（PHO）是由 3-羟基氧杂环丁烷的三甲基硅基醚与配位催化剂，或最好与阳离子催化剂（如 i-Bu₃Al-0.7 H₂O）聚合，然后水解制成的。这种新型聚合物为无规聚合物，结晶度高，熔点为 155oC，不含可测量的端基，具有双峰 ¹³C-NMR，可在 200oC 温度下压缩成型为薄膜，在室温下拉伸可增强强度。 此外，还制备了等轴高分子量 PHO（mp = 223oC；ΔHf = 25.6 cal/g）和支化高分子量 PHO。
• NOVEL GELLING AGENT, A LIQUID CRYSTAL GEL COMPRISING THE SAME, AND A LIQUID CRYSTAL DEVICE COMPRISING THE LIQUID CRYSTAL GEL
  申请人：Kang Dae-Ho

  公开号：US20110187971A1

  公开（公告）日：2011-08-04

  The present invention relates to a novel gelling agent comprising of a silane-amide chemical structure, a liquid crystal gel comprising the same and a liquid crystal device comprising said liquid crystal gel. The liquid crystal gel comprised of the novel gelling agent has excellent compatibility with other materials, and has excellent stability and solubility during manufacturing process of the same, and thus it can be applied to the production of a highly adaptable liquid crystal device.
• PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES
  申请人：LEAD DISCOVERY CENTER GMBH

  公开号：US20150111873A1

  公开（公告）日：2015-04-23

  Pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of infectious diseases, including opportunistic diseases, immunological diseases, autoimmune diseases, cardiovascular diseases, cell proliferative diseases, inflammation, erectile dysfunction and stroke, and pharmaceutical compositions containing at least one of said pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof. Furthermore, the present invention relates to the use of said pyrazolo[1,5-a][1,3,5]triazine derivatives as inhibitors for a protein kinase.
• US4009128A
  申请人：——

  公开号：US4009128A

  公开（公告）日：1977-02-22