3-t-butyl-3-hydroxymethyl-oxetane | 99250-47-2

• 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-t-butyl-3-hydroxymethyl-oxetane
• 英文别名: 3-tert-butyl-3-(hydroxymethyl)oxetane；3-tert-Butyl-3-hydroxymethyloxetane；3-tert-butyloxetane-3-methanol；3-(t-butyl)-3-oxetanemethanol；3-t-butyl-3-hydroxymethyloxetane；3-Oxetanemethanol, 3-(1,1-dimethylethyl)-；(3-tert-butyloxetan-3-yl)methanol
• CAS: 99250-47-2
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: AMONDPRIVREWOC-UHFFFAOYSA-N

物化性质

• 沸点：
  209.0±8.0 °C(Predicted)
• 密度：
  0.992±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  2
• 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-t-butyl-3-hydroxymethyl-oxetane 在 钯 吡啶 、 aluminum oxide 、 三氟化硼乙醚 、 氢气 、 对甲苯磺酰肼 、 silver carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 、 苯 为溶剂， 生成 3-(4-Tert-butyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)-4-diazoniophenolate
  参考文献：
  名称：

  重氮环己二酮作为光亲和配体：三恶双环辛烷探针的合成，用于GABA A受体的惊厥结合位点

  摘要：

  光亲和性配体2结合了溴二重氮环己二壬基和-丁基三氧杂双环-[2,2,2]辛烷部分，以实现合适的光化学性质和对GABA A受体的惊厥结合位点的亲和力。

  DOI：

  10.1016/s0040-4039(01)80625-0

文献信息

• 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT
  申请人：Janssen Pharmaceutica NV

  公开号：US20170313691A1

  公开（公告）日：2017-11-02

  The present invention comprises compounds of Formula I. wherein: A 1 , A 2 , A 3 , A 4 , A 5 , R 1 , and R 2 are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein the syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

  本发明涵盖了Formula I的化合物。 其中： A1，A2，A3，A4，A5，R1和R2在说明书中有定义。 该发明还涵盖了一种治疗或改善综合症、疾病或疾病的方法，其中该综合症、疾病为类风湿性关节炎或牛皮癣。该发明还涵盖了通过给哺乳动物施用Formula I中至少一种化合物的治疗有效量来调节RORγt活性的方法。
• FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS
  申请人：Gilead Sciences, Inc.

  公开号：US20150175560A1

  公开（公告）日：2015-06-25

  The present disclosure relates to compounds that are sodium channel inhibitors and to their use in the treatment of various disease states, including cardiovascular diseases and diabetes. In particular embodiments, the structure of the compounds is given by Formula I: wherein X, Y, Z, R 2 , R 3 , R 4 , p and q are as described herein, to methods for the preparation and use of the compounds and to pharmaceutical compositions containing the same.

  本公开涉及一类钠通道抑制剂化合物及其在治疗各种疾病状态中的应用，包括心血管疾病和糖尿病。具体实施例中，该化合物的结构由式I给出：其中X、Y、Z、R2、R3、R4、p和q如本文所述，以及制备和使用该化合物的方法以及含有该化合物的药物组合物。
• Heterobicycloalkanes as pesticidal compounds
  申请人：Roussel Uclaf

  公开号：US05466710A1

  公开（公告）日：1995-11-14

  The present invention provides a class of substituted bicyclooctanes of formula ##STR1## wherein R is a C.sub.2-10 non-aromatic hydrocarbyl optionally substituted by cyano, halo, C.sub.1-4 alkoxy, C.sub.1-4 haloalkoxy or S(O).sub.m R.sup.3 ; R.sup.1 and r.sup.2 are independently hydrogen, halo, a C.sub.1-3 aliphatic group optionally substituted, S(O).sub.m,R.sup.4, or R.sup.1 and R.sup.2 and the carbon atoms to which they are attached form a C.sub.5-7 carbocyclic ring optionally substituted by halo, or a C.sub.1-3 aliphatic or alkoxy group; A-X is a group: (i) A'C.tbd.CX in which A' is a C.sub.3-6 alkyl, alkenyl or alkynyl or a C.sub.3-10 cycloalkyl or cycloalkenyl group all optionally containing one to three hetero atoms. (ii) BX in which B is a group (CH.sub.2).sub.2 O or (CH.sub.2).sub.2 S(O).sub.n or a C.sub.2-6 aliphatic chain optionally containing one or two oxygen or sulphur atoms and/or double bonds and optionally further substituted; X is hydrogen, halo, SiR.sup.5 R.sup.6 R.sup.7 or SnR.sup.5 R.sup.6 R.sup.7 or CR.sup.8 R.sup.9 R.sup.10 ; Y and Y.sup.1 are independentaly oxygen or S(O).sub.n' and Z is CH.sub.2 S(O).sub.n " provided that when A does not contain a C.tbd.C fragment, X is a group CR.sup.8 R.sup.9 R.sup.10. The compounds have valuable pesticidal activity, particularly against arthropods and helminths. Pesticidal formulations containing the compounds of formula (I), their use in the control of pests and methods for their preparation are also disclosed.

  本发明提供了一类公式为##STR1##的取代双环辛烷化合物，其中R是C.sub.2-10非芳香族烃基，可选地被氰基，卤素，C.sub.1-4烷氧基，C.sub.1-4卤代烷氧基或S(O).sub.mR.sup.3取代; R.sup.1和R.sup.2分别是氢，卤素，C.sub.1-3脂肪基，可选地取代的S(O).sub.m,R.sup.4，或R.sup.1和R.sup.2及其所连接的碳原子形成可选地被卤素取代的C.sub.5-7环烷基或C.sub.1-3脂肪基或烷氧基; A-X是一个基团：(i) A'C.tbd.CX，其中A'是C.sub.3-6烷基，烯基或炔基或C.sub.3-10环烷基或环烯基，均可选地含有一到三个杂原子。(ii) BX，其中B是(CH.sub.2).sub.2O或(CH.sub.2).sub.2S(O).sub.n或C.sub.2-6脂肪链，可选地含有一或两个氧或硫原子和/或双键，并可选地进一步取代; X是氢，卤素，SiR.sup.5R.sup.6R.sup.7或SnR.sup.5R.sup.6R.sup.7或CR.sup.8R.sup.9R.sup.10; Y和Y.sup.1独立地是氧或S(O).sub.n'，Z是CH.sub.2S(O).sub.n"，前提是当A不含C.tbd.C片段时，X是CR.sup.8R.sup.9R.sup.10基团。这些化合物具有有价值的杀虫活性，特别是对节肢动物和蠕虫。还公开了含有公式(I)化合物的杀虫剂配方、它们在害虫控制中的使用以及它们的制备方法。
• 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.

  本发明提供了一类新型的取代双环辛烷衍生物，具有杀虫活性，特别是对节肢动物害虫有效。本发明还揭示了含有式(I)化合物的杀虫配方，其在害虫控制中的应用以及其制备方法。
• Cyclohexene Oxide Compound Having Cyclohexyl Group or Long-Chain Alkyl Group, and Use Thereof
  申请人：Kato Hisao

  公开号：US20080108725A1

  公开（公告）日：2008-05-08

  An object of the present invention is to provide a cyclohexene oxide compound that gives a cured resin having a low refractive index and excellent transparency, curability, mold release properties, and mechanical properties, and that can be used as a component of an actinic radiation curing composition and/or heat curing composition. The present invention is a cyclohexene oxide compound having a cyclohexyl group or a long-chain alkyl group, represented by Formula (1) below (in Formula (1), A denotes a cyclohexyl group, Formula (2) below, or an optionally branched alkyl group having 8 to 16 carbons) (in Formula (2), R 1 denotes a hydrogen atom or an optionally branched alkyl group having 1 to 4 carbons and R 2 denotes a hydrogen atom or an optionally branched alkyl group having 1 to 4 carbons).

  本发明的目的是提供一种环己烯氧化物化合物，该化合物能够产生具有低折射率和优异透明度、可固化性、模具脱模性和机械性能的固化树脂，并可用作光敏辐射固化组合物和/或热固化组合物的组分。本发明是一种具有环己基或长链烷基的环己烯氧化物化合物，由下式（1）表示（在式（1）中，A表示环己基、下式（2）或具有8至16个碳的可选支链烷基）（在式（2）中，R1表示氢原子或具有1至4个碳的可选支链烷基，R2表示氢原子或具有1至4个碳的可选支链烷基）。