(±)-tert-butyl 3,3a,4,6-tetrahydro-5H-pyrrolo[3,4-c]isoxazole-5-carboxylate | 1539316-81-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (±)-tert-butyl 3,3a,4,6-tetrahydro-5H-pyrrolo[3,4-c]isoxazole-5-carboxylate
• 英文别名: tert-butyl 3a,4-dihydro-3H-pyrrolo[3,4-c]isoxazole-5(6H)-carboxylate；Tert-butyl 3,3a,4,6-tetrahydropyrrolo[3,4-c][1,2]oxazole-5-carboxylate；tert-butyl 3,3a,4,6-tetrahydropyrrolo[3,4-c][1,2]oxazole-5-carboxylate
• CAS: 1539316-81-8
• 化学式: C₁₀H₁₆N₂O₃
• 分子量: 212.249
• InChiKey: HPLJQSRFICDKGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (±)-tert-butyl 3,3a,4,6-tetrahydro-5H-pyrrolo[3,4-c]isoxazole-5-carboxylate 在 正丁基锂 、 溶剂黄146 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (±)-(3RS,4RS)-tert-butyl 3-amino-4-(hydroxymethyl)-3-(pyridin-2-yl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  [EN] HEXAHYDROPYRROLOTHIAZINE COMPOUNDS
  [FR] COMPOSÉS D'HEXAHYDROPYRROLOTHIAZINE

  摘要：

  公式（I）的化合物或其药用盐，其中R1至R9如规范中定义，并且该化合物具有抑制Αβ产生的效果，可能作为一种预防或治疗剂用于由Αβ引起的以阿尔茨海默症（AD）或唐氏综合征为特征的神经退行性疾病。

  公开号：

  WO2014013076A1
• 作为产物：
  描述：

  烯丙基,2-氧代乙基氨基甲酸叔丁酯 在 吡啶 、 盐酸羟胺 、 chloroamine-T 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 18.0h， 生成 (±)-tert-butyl 3,3a,4,6-tetrahydro-5H-pyrrolo[3,4-c]isoxazole-5-carboxylate
  参考文献：
  名称：

  分子内1，3-偶极环加成反应合成异恶唑环化吡咯烷，哌啶和氮杂环丙烷的研究

  摘要：

  吡咯烷，哌啶和氮杂环戊烷与异恶唑环，异恶唑啉环或异恶唑烷环是通过分子内的1，3-偶极亚硝基环或腈氧化物加成制备的。相应的1，3-偶极是从N -Boc保护的和N-烯丙基-，N-炔丙基-或N-（3-丁烯基）取代的2-氨基乙醛或3-氨基丙醛获得的。

  DOI：

  10.1016/j.tet.2014.05.042

文献信息

• COMPOSITIIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE
  申请人：Bayer CropScience AG

  公开号：EP2854534A1

  公开（公告）日：2015-04-08
• [EN] COMPOSITIIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE<br/>[FR] COMPOSITIONS COMPRENANT UN AGENT DE LUTTE BIOLOGIQUE ET UN INSECTICIDE
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2013178661A1

  公开（公告）日：2013-12-05

  The present Invention relates to a composition comprising at least one biological control agent selected from the group consisting of Bacillus chitinosporus AQ746 (NRRL Accession No, B-21 61 8), Bacillus mycoides AQ726 (NRRL Accession No, B- 21664), Bacillus pumilus (NRRL Accession No, B-30087), Bacillus pumilus AQ717 (NRRL Accession No. B-21662), Bacillus sp. AQ1 75 (ATCC Accession No. 55608), Bacillus sp. AQ177 (ATCC Accession No. 55609), Bacillus sp. AQ178 (ATCC Accession No, 53522), Bacillus subtilis AQ743 (NRRL Accession No. B-21665), Bacillus subtilis AQ713 (NRRL Accession No. B- 21661), Bacillus subtilis AQ153 (ATCC Accession No. 55614), Bacillus thuringiensis BD#32 (NRRL Accession No. B-21530), Bacillus thuringiensis AQ52 (NRRL Accession No, B- 21619), Muscodor albus 620 (NRRL Accession No. 30547), Muscodor roseus A3-5 (NRRL Accession No, 30548), Rhodococcus globerulus AQ719 (NRRL Accession No, B- 21663), Streptomyces galbus (NRRL Accession No, 30232), Steptomyces sp. (NRRL Accession No. B-30145), Bacillus thuringiensis subspec. kurstaki BMP 123, Bacillus subtilis AQ30002 (NRRL Accession No. B-50421), and Bacillus subtilis AG 30004 (NRRL Accession No. B-50455) and/or a mutant of these strains having all the identifying characteristics of the respective strain, and/or a metabolite produced by the respective strain that exhibits activity against insects, mites, nematodes and/or phytoparthogens and at least one insecticide selected from the group consisting of nicotinic acetylcholine receptor (nAChR) agonists and nicotinic acetylcholine receptor (nAChR) allosteric activators in a synergistically effective amount. Furthermore, the present invention relates to the use of this composition as well as a method for reducing overall damage of plants and plant parts.
• Investigations on intramolecular 1,3-dipolar cycloadditions for the synthesis of isoxazolo-annulated pyrrolidines, piperidines and azepanes
  作者：Martina Würdemann、Jens Christoffers

  DOI：10.1016/j.tet.2014.05.042

  日期：2014.8

  Pyrrolidines, piperidines, and azepanes with annulated isoxazole, isoxazoline or isoxazolidine rings were prepared by intramolecular 1,3-dipolar cycloadditions of nitrones or nitrile oxides. The corresponding 1,3-dipoles were obtained from N-Boc-protected and N-allyl-, N-propargyl- or N-(3-butenyl)-substituted 2-aminoethanal or 3-aminopropanal.

  吡咯烷，哌啶和氮杂环戊烷与异恶唑环，异恶唑啉环或异恶唑烷环是通过分子内的1，3-偶极亚硝基环或腈氧化物加成制备的。相应的1，3-偶极是从N -Boc保护的和N-烯丙基-，N-炔丙基-或N-（3-丁烯基）取代的2-氨基乙醛或3-氨基丙醛获得的。
• [EN] HEXAHYDROPYRROLOTHIAZINE COMPOUNDS<br/>[FR] COMPOSÉS D'HEXAHYDROPYRROLOTHIAZINE
  申请人：EISAI R&D MAN CO LTD

  公开号：WO2014013076A1

  公开（公告）日：2014-01-23

  A compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein R1 to R9 are as defined in the specification and which compound has an Αβ production inhibitory effect and may be useful as a prophylactic or therapeutic agent for a neurodegenerative disease caused by Αβ and typified by Alzheimer-type dementia (AD) or Down's syndrome.

  公式（I）的化合物或其药用盐，其中R1至R9如规范中定义，并且该化合物具有抑制Αβ产生的效果，可能作为一种预防或治疗剂用于由Αβ引起的以阿尔茨海默症（AD）或唐氏综合征为特征的神经退行性疾病。