4,5-二氢-1,2-恶唑 | 504-73-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 中文名称: 4,5-二氢-1,2-恶唑
• 英文名称: 4,5-dihydro-isoxazole
• 英文别名: 4,5-dihydroisoxazole；2-isoxazoline；Isoxazoline；isoxazolin；Δ²-Isoxazolin；2-Isoxazolin；4,5-dihydro-1,2-oxazole
• CAS: 504-73-4
• 化学式: C₃H₅NO
• 分子量: 71.0788
• InChiKey: WEQPBCSPRXFQQS-UHFFFAOYSA-N

物化性质

• 沸点：
  73.8±23.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4,5-二氢-1,2-恶唑 在 对甲苯磺酸 作用下， 生成 异恶唑
  参考文献：
  名称：

  Substituted pyridine compounds having herbicidal activity

  摘要：

  本发明提供了新颖的除草吡啶，其特点是在3位或5位具有脂肪族或芳香族1-酮基团。

  公开号：

  US05260262A1

文献信息

• Oxo-analogs of mevinolin-like antihyper-cholesterolemic agents
  申请人：Merck & Co., Inc.

  公开号：US05053525A1

  公开（公告）日：1991-10-01

  Mevinolin-like compounds in which the lactone is opened and the hydroxyl function produced thereby is replaced by an oxo function are potent HMG-CoA reductase inhibitors possessing one less asymmetric center.

  梅文诺林类化合物中，内酯被打开，从而产生的羟基功能被氧化功能取代，是具有一个较少不对称中心的强效HMG-CoA还原酶抑制剂。
• Novel process
  申请人：SmithKline Beecham p.l.c.

  公开号：US20020010155A1

  公开（公告）日：2002-01-24

  A process for the preparation of a 4-aryl-3-oxymethyl-piperidine of structure (1) 1 in which R is hydrogen or an alkyl, arylalkyl, allyl, acyl, carbonyloxyalkyl, carbonyloxyaryl, or carbonyloxyalkylaryl group, and Y is a hydrogen atom or an optionally substituted alkyl, arylalkyl, or aryl group, from a carboxy derivative of structure (2) 2 where A is oxygen or sulphar, X is one or more of hydrogen, or a readily reducible group, Z represents either a hydrogen atom or an OY′ group in which Y′ is independently selected from the same groups as Y, and the broken line circle indicates bonding, appropriate to a tetrahydropyridine, dihydropyridine, pyridine, or piperidine ring said process comprising (a) when Y is a hydrogen atom, reducing the compound of structure (2), or (b) when Y is other than a hydrogen atom (i) forming an ether from the alcohol product of step (a), (ii) etherifying the aldehyde compound of structure (2) in which Z is hydrogen, or (iii) reducing the ester compound of structure (2) in which Z is OY′.

  一种制备结构（1）中的4-芳基-3-氧甲基-哌啶的方法，其中R是氢或烷基、芳基烷基、烯丙基、酰基、羰基氧烷基、羰基氧芳基或羰基氧烷基芳基，Y是氢原子或可选择取代的烷基、芳基烷基或芳基，从结构（2）中的羧衍生物进行，其中A是氧或硫，X是一个或多个氢或易还原基团，Z代表氢原子或OY′基团，其中Y′独立选择自Y相同的基团，中断线圆表示键合，适用于四氢吡啶、二氢吡啶、吡啶或哌啶环的过程包括(a)当Y是氢原子时，还原结构（2）的化合物，或(b)当Y不是氢原子时(i)从步骤（a）的醇产物中形成醚，(ii)使结构（2）中Z为氢的醛化合物醚化，或(iii)还原结构（2）中Z为OY′的酯化合物。
• Process for preparing pharmaceutically active compounds and
  申请人：SmithKline Beecham plc

  公开号：US06153755A1

  公开（公告）日：2000-11-28

  ##STR1## A process is disclosed for the preparation of (1) by reduction of (2) directly using catalytic transfer hydrogenation to suppress formation of (4) or by conventional reduction via (4). Compound (1) is a key intermediate for inter alia paroxetine.

  本发明揭示了一种制备(1)的方法，通过使用催化转移氢化抑制(4)的生成，直接还原(2)，或通过常规还原法还原(4)。化合物(1)是制备帕罗西汀等化合物的关键中间体。
• Perfluoroalkyl isoxazoles
  申请人：Produits Chimiques Ugine Kuhlmann

  公开号：US04000150A1

  公开（公告）日：1976-12-28

  Perfluoroalkylated isoxazoles having the formula: ##EQU1## wherein R.sub.F is C.sub.3 - C.sub.15 perfluoroalkyl and R is the same as R.sub.F or a different C.sub.3 - C.sub.15 perfluoroalkyl or C.sub.1 - C.sub.7 alkyl or phenyl or phenyl substituted by C.sub.1 - C.sub.7 alkyl which are prepared by reacting hydroxylamine with a beta-diketone, at least one of whose alkyls is a C.sub.3 - C.sub.15 perfluoroalkyl, and dehydrating the resultant perfluoroalkylated 5-hydroxy-isoxazoline in an autoclave in the presence of polyphosphoric acid. The stable products are useful as heat-exchange media and as surfactants in organic solution.

  具有以下式子的全氟烷基异噁唑：##EQU1## 其中R.sub.F是C.sub.3 - C.sub.15的全氟烷基，R与R.sub.F相同或不同，是C.sub.3 - C.sub.15的全氟烷基或C.sub.1 - C.sub.7的烷基或苯基或被C.sub.1 - C.sub.7烷基取代的苯基，这些化合物是通过将羟胺与β-二酮反应制备而成，其中至少一个烷基是C.sub.3 - C.sub.15的全氟烷基，并在聚磷酸存在下在高压釜中脱水得到全氟烷基化的5-羟基异噁唑。这些稳定的产物可用作热交换介质和有机溶液中的表面活性剂。
• PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE
  申请人：AMGEN INC.

  公开号：US20150252011A1

  公开（公告）日：2015-09-10

  The present invention provides a new class of compounds useful for the modulation of beta-secretase enzyme (BACE) activity. The compounds have a general Formula I: wherein variables A 4 , A 5 , A 6 , A 8 , each of R a , R b , R 1 , R 2 , R 3 and R 7 of Formula I, independently, are defined herein. The invention also provides pharmaceutical compositions comprising the compounds, and uses of the compounds and compositions for treatment of disorders and/or conditions related to A-beta plaque formation and deposition, resulting from the biological activity of BACE. Such BACE mediated disorders include, for example, Alzheimer's Disease, cognitive deficits, cognitive impairments, schizophrenia and other central nervous system conditions. The invention further provides compounds of Formulas II and III, and sub-formula embodiments thereof, intermediates and methods for preparing compounds of the invention.

  本发明提供了一类新的化合物，可用于调节β-分泌酶(BACE)的活性。这些化合物具有通式I： 其中，变量A4、A5、A6、A8，以及通式I中的每个Ra、Rb、R1、R2、R3和R7，在此独立地定义。本发明还提供了包含这些化合物的药物组合物，并将这些化合物和组合物用于治疗与A-beta斑块形成和沉积有关的疾病和/或症状，这是由BACE的生物活性导致的。这样的BACE介导的疾病包括阿尔茨海默病、认知缺陷、认知障碍、精神分裂症和其他中枢神经系统疾病。本发明还提供了通式II和III的化合物，以及它们的亚式化合物、中间体和制备本发明化合物的方法。