3-hydroxymethyl-3-n-propyl oxetane | 107829-94-7

• 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-hydroxymethyl-3-n-propyl oxetane
• 英文别名: 3-propyl-3-hydroxymethyloxetane；3-hydroxymethyl-3-n-propyloxetane；3hydroxymethyl-3-n-propyloxetane；2-Propyl-2-oxetanemethanol；(3-propyloxetan-3-yl)methanol
• CAS: 107829-94-7
• 化学式: C₇H₁₄O₂
• 分子量: 130.187
• InChiKey: CUBVDBSVGQEYCB-UHFFFAOYSA-N

物化性质

• 沸点：
  214.3±8.0 °C(Predicted)
• 密度：
  0.978±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-hydroxymethyl-3-n-propyl oxetane 在 草酰氯 、 三氟化硼乙醚 、 二甲基亚砜 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 、 水 为溶剂， 生成 1-(Pent-4-ynyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile
  参考文献：
  名称：

  Insecticidal 1-(alkynylalkyl)-3-cyano-2,6,7-trioxabicyclo[2.2.2]octanes

  摘要：

  The high insecticidal activity and potency at the insect GABA-gated chloride channel of 4-alkyl-3-cyano-2,6,7-trioxabicyclo[2.2.2]octanes with the 1-(4-ethynylphenyl) substituent is also achieved with the corresponding l-(hex-5-ynyl) analogs. Conceptually the four-methylene linkage resembles the spatial characteristics of a phenyl ring and allows the ethynyl group to occupy the same area of receptor space as when attached at the 4-position of an aryl moiety. This is the first example of chloride channel blockers with the ability to replace a phenyl group by a conformationally flexible alkyl linkage and retain a significant portion of the activity.

  DOI：

  10.1021/jf00031a020
• 作为产物：
  描述：

  次丁基三甲醇 在 potassium carbonate 、 碳酸二乙酯 作用下， 反应 3.0h， 以38%的产率得到3-hydroxymethyl-3-n-propyl oxetane
  参考文献：
  名称：

  SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF

  摘要：

  化合物在式（I）中显示。该化合物的衍生物包括立体异构体、药用可接受的盐、溶剂合物、前药、代谢物、氘代衍生物。该化合物是一种结构新颖的取代咪唑甲酸酯衍生物。取代咪唑甲酸酯衍生物用于制备具有镇静、催眠和/或麻醉作用的药物，以及可以控制癫痫状态的药物。该化合物对中枢神经系统具有良好的抑制作用，并为临床筛选和/或制备具有镇静、催眠和/或麻醉作用以及控制癫痫状态的药物提供了新选择。

  公开号：

  US20200369621A1

文献信息

• SILICON-CONTAINING COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY USING THE SAME
  申请人：DAXIN MATERIALS CORPORATION

  公开号：US20190338190A1

  公开（公告）日：2019-11-07

  A silicon-containing compound, liquid-crystal composition and a liquid-crystal display using the silicon-containing compound are provided. The silicon-containing compound has a structure represented by Formula (I): wherein K, R 1 , A 1 , A 2 , A 3 , A 4 , Z 1 , Z 2 , Z 3 , L 7 , L 8 , L 9 , X 6 , X 7 , n 1 , n 2 , n 3 , and n 4 are defined as in the specification.

  提供一种含硅化合物、液晶组合物和使用该含硅化合物的液晶显示器。该含硅化合物具有由式（I）表示的结构： 其中K、R1、A1、A2、A3、A4、Z1、Z2、Z3、L7、L8、L9、X6、X7、n1、n2、n3和n4如规范中定义。
• [EN] 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS<br/>[FR] PYRAZOLO[1,5-A] PYRAZINES SUBSTITUÉES EN 4,6 EN TANT QU'INHIBITEURS DE LA JANUS KINASE
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2016090285A1

  公开（公告）日：2016-06-09

  Compounds of Formula I: and stereoisomers and pharmaceutically acceptable salts and solvates thereof in which R1, R2, R3 and R4 have the meanings given in the specification, are inhibitors of one or more JAK kinases and are useful in the treatment of JAK kinase-associated diseases and disorders, such as autoimmune diseases, inflammatory diseases, rejection of transplanted organs, tissues and cells, as well as hematologic disorders and malignancies and their co-morbidities.

  公式I的化合物及其立体异构体和药学上可接受的盐和溶剂化合物，在其中R1、R2、R3和R4具有规范中给定的含义，是一种或多种JAK激酶的抑制剂，并且在治疗JAK激酶相关疾病和疾病方面非常有用，如自身免疫疾病、炎症性疾病、移植器官、组织和细胞的排斥反应，以及血液学疾病和恶性肿瘤及其并发症。
• Pesticidal compounds
  申请人：The Wellcome Foundation Limited

  公开号：US05116862A1

  公开（公告）日：1992-05-26

  The present invention provides a class of novel substituted bicyclooctanes which have pesticidal activity, particularly against arthropod pests. Pesticidal formulations containing the compounds of the formula (I), their use in the control of pests and methods for their preparation are also disclosed.

  本发明提供了一类具有杀虫活性的新型取代双环辛烷化合物，特别针对节肢动物害虫。还公开了含有式(I)化合物的杀虫配方，以及它们在害虫控制中的使用方法和制备方法。
• 1-heterocyclic bicyclo-octanes
  申请人：The Wellcome Foundation Limited

  公开号：US05057504A1

  公开（公告）日：1991-10-15

  Pesticidal bicyclo-octanes are of the formula ##STR1## where R is a substituted or unsubstituted aliphatic or aromatic group, R' and R.sup.3 are H or a substituted or unsubstituted aliphatic or aromatic group, R.sup.2 is a substituted or unsubstituted heterocyclic group containing at least one ring nitrogen and is preferably a 3- or 4- pyridyl group, Z is CH.sub.2 CH.sub.2, CH.sub.2 O--CH.sub.2 S or COCH.sub.2 or CH(OR.sup.5)CH.sub.2 where R.sup.5 is H, alkyl, acyl or carbamoyl at Y and Y' are O or S(O).sub.m where m is 0, 1 or 2. Various methods for their preparation are described.

  杀虫双环辛烷的化学式为##STR1##其中R是取代或未取代的脂肪族或芳香族基团，R'和R.sup.3是H或取代或未取代的脂肪族或芳香族基团，R.sup.2是含有至少一个环氮的取代或未取代的杂环基团，最好是3-或4-吡啶基团，Z是CH.sub.2 CH.sub.2，CH.sub.2 O-CH.sub.2 S或COCH.sub.2或CH(OR.sup.5)CH.sub.2，其中R.sup.5是H、烷基、酰基或碳酰基，在Y和Y'处为O或S(O).sub.m，其中m为0、1或2。描述了它们的各种制备方法。
• Improvements relating to pesticides
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0285342A3

  公开（公告）日：1990-08-01

  Bicyclo-octane pesticides have the formula where Z is CH₂CH₂, CH₂O, CH₂S, -COCH₂ or CH(OR⁸)CH₂ where R⁸ is H, alkyl, acyl or carbamoyl; Y and Y¹ are O or S(O)m where m is 0, 1 or 2; R is a specified substituted or unsubstituted aliphatic or cycloaliphatic hydrocarbon groups or a phenyl group, R¹ and R³ are H, or specified substituted or unsubstituted aliphatic hydrocarbon groups or R¹ is a carboalkoxy, cyano or gem dimethyl group when R³ is H or R and R¹, together with the carbon atoms to which they are attached form a carbocyclic ring; and R² is a phenyl group substituted at position 4 by -(C≡C)nR⁵ and optionally at other positions by specified substituents where n is 1 or 2 and R⁵ is I, H, alkyl optionally substituted, carboalkoxy, or a trisubstituted tin or trisubstituted silicon group. Various methods of synthesis are given.

  Bicyclo-octane农药的化学式为：其中Z为CH₂CH₂，CH₂O，CH₂S，-COCH₂或CH(OR⁸)CH₂，其中R⁸为H，烷基，酰基或氨基甲酰基；Y和Y¹为O或S(O)m，其中m为0、1或2；R为指定的取代或未取代的脂肪族或环脂族碳氢化合物基团或苯基，R¹和R³为H或指定的取代或未取代的脂肪族碳氢化合物基团，或者当R³为H时，R¹为羧基烷氧基，氰基或双甲基基团，或R和R¹连同它们所连接的碳原子形成一个碳环；R²为苯基，在4位上被-(C≡C)nR⁵取代，可选地在其他位置由指定的取代基团取代，其中n为1或2，R⁵为I，H，可选地取代的烷基，羧基烷氧基，或三取代锡或三取代硅基团。给出了各种合成方法。