Trimethyl-3,5,5 dihydro-4,5 isoxazole | 4195-91-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: Trimethyl-3,5,5 dihydro-4,5 isoxazole
• 英文别名: 3,5,5-trimethyl-4,5-dihydro-isoxazole；3,5,5-Trimethyl-Δ²-isoxazolin；3,5,5-Trimethyl-4,5-dihydro-isoxazol；3,3,5-Trimethyl-isoxazol-2-in；Trimethyl-3,5,5-isoxazolin-2；3,5,5-trimethyl-4H-1,2-oxazole
• CAS: 4195-91-9
• 化学式: C₆H₁₁NO
• 分子量: 113.159
• InChiKey: KZYQHSXURSPAAC-UHFFFAOYSA-N

物化性质

• 沸点：
  162-163 °C(Press: 754 Torr)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Trimethyl-3,5,5 dihydro-4,5 isoxazole 以 甲醇 为溶剂， 生成 3-methoxy-2,3,5,5-tetramethyl-isoxazolidine
  参考文献：
  名称：

  Belly,A. et al., Bulletin de la Societe Chimique de France, 1972, p. 3951 - 3954

  摘要：

  DOI：
• 作为产物：
  描述：

  丙酮肟 在 吡啶盐酸盐 作用下， 以 丙酮 为溶剂， 反应 170.0h， 以85%的产率得到Trimethyl-3,5,5 dihydro-4,5 isoxazole
  参考文献：
  名称：

  Dauzonne, Daniel; Demerseman, Pierre; Royer, Rene, Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 693 - 694

  摘要：

  DOI：

文献信息

• Substituted Indazoles as Inhibitors of Phosphodiesterase Type-Iv
  申请人：Palle Venkata

  公开号：US20080312285A1

  公开（公告）日：2008-12-18

  The present invention relates to isoxazoline derivatives of structure Ia, which can be used as selective inhibitors of phosphodiesterase (PDE) type IV. Compounds disclosed herein can be useful in the treatment of CNS disorders, AIDS, asthma, arthritis, bronchitis, chronic obstructive pulmonary disease (COPD), psoriasis, allergic rhinitis, shock, atopic dermatitis, Crohn's disease, adult respiratory distress syndrome (ARDS), eosinophilic granuloma, allergic conjunctivitis, osteoarthritis, ulcerative colitis and other inflammatory diseases especially in humans. Processes for the preparation of disclosed compounds are provided, as well as pharmaceutical compositions containing the disclosed compounds, and their use as phosphodiesterase (PDE) type IV inhibitors. Formula (Ia)

  本发明涉及结构Ia的异噁唑啉衍生物，可用作磷酸二酯酶（PDE）IV型的选择性抑制剂。本文披露的化合物可用于治疗中枢神经系统疾病、艾滋病、哮喘、关节炎、支气管炎、慢性阻塞性肺病（COPD）、牛皮癣、过敏性鼻炎、休克、特应性皮炎、克罗恩病、成人呼吸窘迫综合征（ARDS）、嗜酸性肉芽肿、过敏性结膜炎、骨关节炎、溃疡性结肠炎和其他炎症性疾病，尤其是在人类中。提供了所述化合物的制备方法，以及含有所述化合物的药物组合物，以及它们作为磷酸二酯酶（PDE）IV型抑制剂的用途。公式（Ia）
• SUBSTITUTED 1-(DIAZINYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS
  申请人：JAKOBI Harald

  公开号：US20100160164A1

  公开（公告）日：2010-06-24

  The invention relates to 1-(3-diazinyl)pyrazol-4-ylacetic acid derivatives of the general formula (I) and salts thereof in which Het, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and n are as defined in the specification. The compounds (I) and their salts are suitable as herbicides and plant growth regulators, in particular as herbicides for the selctive control of harmful plants in crops of useful plants, and can be prepared by processes as described in the specification.

  这项发明涉及一般式(I)的1-(3-二嗪基)吡唑-4-基乙酸衍生物及其盐，其中Het、R1、R2、R3、R4、R5、R6和n如规范中所定义。化合物(I)及其盐适用作除草剂和植物生长调节剂，特别是作为对有用植物作物中有害植物的选择性控制除草剂，并可通过规范中描述的方法制备。
• HETEROCYCLIC AMIDE COMPOUND
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US20160108037A1

  公开（公告）日：2016-04-21

  The present invention provides a heterocyclic amide compound of Formula (1), and an agricultural chemical containing it, particularly a herbicide: in which Q is an aromatic heterocycle of any one of Q-1 to Q-5, W is an aromatic heterocycle of W-1, W-2, or W-3, X is an oxygen atom, etc., R 1a is a hydrogen atom, a halogen atom, or C 1-6 alkyl, etc., R 1b is a hydrogen atom, R 1c is C 1-6 alkyl, R 2a is a halogen atom, or C 1-6 alkyl, etc., R 2c is C 1-6 haloalkyl, R 3 is a hydrogen atom, etc., R 4a , R 4b , R 4c and R 4d are each independently a hydrogen atom, or C 1-6 alkyl, etc., R 5a , R 5b and R 5c are each independently a hydrogen atom, or C 1-6 alkyl, etc., and n is an integer of 0, 1, 2 or 3.

  本发明提供了一种异环酰胺化合物，其化学式为（1），以及含有该化合物的农药，特别是除草剂：其中Q是Q-1至Q-5中的任意一种芳香杂环，W是W-1、W-2或W-3中的一种芳香杂环，X是氧原子等，R1a是氢原子，卤素原子或C1-6烷基等，R1b是氢原子，R1c是C1-6烷基，R2a是卤素原子或C1-6烷基等，R2c是C1-6卤代烷基，R3是氢原子等，R4a、R4b、R4c和R4d各自独立地是氢原子或C1-6烷基等，R5a、R5b和R5c各自独立地是氢原子或C1-6烷基等，n是0、1、2或3的整数。
• Method for Producing 5,5-Disubstituted 4,5-Dihydroisoxazol-3-Thiocarboxamidine Salts
  申请人：Frasetto Timo

  公开号：US20120264947A1

  公开（公告）日：2012-10-18

  A process for preparing 5,5-disubstituted 4,5-dihydroisoxazole-3-thiocarboxamidine salts of the formula (I), wherein 3-unsubstituted 4,5-dihydroisoxazoles are first reacted with a chlorinating or brominating reagent to give 3-halogenated 4,5-dihydroisoxazoles and the latter then react with thiourea to give the compounds of the formula (I).

  一种制备式(I)的5,5-二取代4,5-二氢异噁唑-3-硫代甲酰胺盐的方法，其中首先将未取代的4,5-二氢异噁唑与氯化或溴化试剂反应，得到3-卤代的4,5-二氢异噁唑，然后再将其与硫脲反应得到式(I)化合物。
• Reaction of 2-Isoxazolines with Organolithiums in the Presence of Boron Trifluoride
  作者：Hidemitsu Uno、Tetsuya Terakawa、Hitomi Suzuki

  DOI：10.1246/bcsj.66.2730

  日期：1993.9

  In the presence of boron trifluoride, 3,4,5-tri-, 3,5,5-tri and 3,5-disubstituted 2-isoxazolines underwent nucleophilic addition of alkyl- and aryllithiums to give 3,3,4,5-, 3,3,5,5-, and 3,3,5-substituted isoxazolidines in moderate to good yields. On the other hand, in the case of 3,4,5,5-tetrasubstituted isoxazolines, the addition did not proceed at all but proton abstraction took place to afford

  在三氟化硼存在下，3,4,5-三-、3,5,5-三和3,5-二取代的2-异恶唑啉与烷基-和芳基锂进行亲核加成得到3,3,4,5- 、3,3,5,5- 和 3,3,5- 取代的异恶唑烷，产率适中。另一方面，在 3,4,5,5-四取代的异恶唑啉的情况下，加成根本没有进行，而是发生了质子提取，得到了异恶唑啉阴离子的“ate”络合物，通过氘化证实了其形成以及与苯甲醛的羟醛反应。