6-oxobicyclo<3.3.1>-1(2)-nonene | 71304-49-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-oxobicyclo<3.3.1>-1(2)-nonene
• 英文别名: Bicyclo[3.3.1]non-5-en-2-one
• CAS: 71304-49-9
• 化学式: C₉H₁₂O
• 分子量: 136.194
• InChiKey: OQJJVGFAUXJBOC-UHFFFAOYSA-N

物化性质

• 沸点：
  244.9±19.0 °C(Predicted)
• 密度：
  1.04±0.1 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：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-methylene-5-hexenal 在 sodium acetate 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.26h， 生成 6-oxobicyclo<3.3.1>-1(2)-nonene
  参考文献：
  名称：

  Applications of the intramolecular Diels-Alder reaction to the formation of strained molecules. Synthesis of bridgehead alkenes

  摘要：

  DOI：

  10.1021/ja00385a027

文献信息

• [EN] TETRAZINES FOR HIGH CLICK RELEASE SPEED AND YIELD<br/>[FR] TÉTRAZINES POUR UNE VITESSE ET UN RENDEMENT DE LIBÉRATION DE CHIMIE CLIC ÉLEVÉS
  申请人：TAGWORKS PHARMACEUTICALS B V

  公开号：WO2020256544A1

  公开（公告）日：2020-12-24

  Disclosed herein are tetrazines substituted with groups that result in a high click conjugation yield and high click release yields. In some of several other aspects, the invention relates to combinations and kits comprising said tetrazines and a dienophile, preferably a trans-cyclooctene. In another aspect, the compounds, combinations, and kits are for use as a medicament.

  本文揭示了用于高点击共轭产量和高点击释放产量的基团替代的四唑类化合物。在其他几个方面，本发明涉及包括所述四唑类化合物和双亲核烯的组合和试剂盒，其中双亲核烯优选为反-环辛烯。在另一个方面，这些化合物、组合和试剂盒可用作药物。
• Intramolecular diels-alder cycloadditions. Synthesis of substituted derivatives of bicyclo[3.n.1]bridgehead alkenes.
  作者：Kenneth J. Shea、Sean Wise

  DOI：10.1016/s0040-4039(01)87176-8

  日期：1979.1
• SHEA K. J.; WISE S., TETRAHEDRON LETT., 1979, NO 12, 1011-1014
  作者：SHEA K. J.、 WISE S.

  DOI：——

  日期：——
• SHEA, K. J.;WISE, S.;BURKE, L. D.;DAVIS, P. D.;GILMAN, J. W.;GREELEY, A. +, J. AMER. CHEM. SOC., 1982, 104, N 21, 5708-5715
  作者：SHEA, K. J.、WISE, S.、BURKE, L. D.、DAVIS, P. D.、GILMAN, J. W.、GREELEY, A. +

  DOI：——

  日期：——
• CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION
  申请人：Tagworks Pharmaceuticals B.V.

  公开号：US20190247513A1

  公开（公告）日：2019-08-15

  Disclosed is an advancement in provoked chemical cleavage. Thereby the invention provides the use of a diene as a chemically cleavable group attached to a Construct, and the use of a dienophile to provoke the release of the Construct by allowing the diene to react with a dienophile capable of undergoing an inverse electron demand Diels Alder reaction with the diene. The invention includes a kit for releasing a Construct C A bound to a Trigger T R , the kit comprising a tetrazine and a dienophile, wherein the Trigger is the tetrazine. The invention also includes the use of the formation of a pyridazine by reacting a tetrazine comprising a Construct C A bound thereto and a dienophile, as a chemical tool for the release, in a chemical, biological or physiological environment, of said Construct.