Methyl 2-(2,2-difluorocyclooct-3-yn-1-yl)acetate | 1131041-43-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Methyl 2-(2,2-difluorocyclooct-3-yn-1-yl)acetate
• CAS: 1131041-43-4
• 化学式: C₁₁H₁₄F₂O₂
• 分子量: 216.228
• InChiKey: JYHPPPYELZARHC-UHFFFAOYSA-N

物化性质

• 沸点：
  236.8±40.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 2-(2,2-difluorocyclooct-3-yn-1-yl)acetate 在 lithium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 3.0h， 以33 mg的产率得到2-(2,2-二氟环辛-3-炔-1-基)乙酸
  参考文献：
  名称：

  用于无铜点击化学的第二代二氟环辛炔

  摘要：

  叠氮化物和活化炔烃的 1,3-偶极环加成已用于体外和体内生物分子的位点选择性标记。虽然铜催化已被广泛用于激活末端炔烃以进行 [3 + 2] 环加成，但由于金属的毒性，这种通常称为“点击化学”的方法目前与生命系统不相容。我们最近报道了一种二氟环辛炔 (DIFO) 试剂，它无需铜催化即可与活细胞中的叠氮化物快速反应。在这里，我们报告了一类用于无铜点击化学的新型 DIFO 试剂，它们在合成上更易于处理。新的类似物保持了与母体化合物相同的 [3 + 2] 环加成速率，并用于对活细胞上的聚糖进行成像。

  DOI：

  10.1021/ja803086r
• 作为产物：
  描述：

  甲醇 、 1-(2,2-Difluoro-3-cyclooctyne-1-ylmethyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane 在 4-甲基苯磺酸吡啶 作用下， 以 水 为溶剂， 反应 24.0h， 以106.8 mg的产率得到Methyl 2-(2,2-difluorocyclooct-3-yn-1-yl)acetate
  参考文献：
  名称：

  用于无铜点击化学的第二代二氟环辛炔

  摘要：

  叠氮化物和活化炔烃的 1,3-偶极环加成已用于体外和体内生物分子的位点选择性标记。虽然铜催化已被广泛用于激活末端炔烃以进行 [3 + 2] 环加成，但由于金属的毒性，这种通常称为“点击化学”的方法目前与生命系统不相容。我们最近报道了一种二氟环辛炔 (DIFO) 试剂，它无需铜催化即可与活细胞中的叠氮化物快速反应。在这里，我们报告了一类用于无铜点击化学的新型 DIFO 试剂，它们在合成上更易于处理。新的类似物保持了与母体化合物相同的 [3 + 2] 环加成速率，并用于对活细胞上的聚糖进行成像。

  DOI：

  10.1021/ja803086r

文献信息

• Water-soluble polymeric dyes
  申请人：Becton, Dickinson and Company

  公开号：US11034840B2

  公开（公告）日：2021-06-15

  Water soluble polymeric dyes and polymeric tandem dyes are provided. The polymeric dyes include a water solvated light harvesting multichromophore having a conjugated segment of aryl or heteroaryl co-monomers including branched non-ionic water soluble groups (WSG) comprising two or more water soluble polymers. In some cases, the branched non-ionic water soluble groups (WSG) of the present disclosure are capable of imparting solubility in water in excess of 50 mg/mL to the multichromophore. The polymeric tandem dyes further include a signaling chromophore covalently linked to the multichromophore in energy-receiving proximity therewith. Also provided are aggregation-resistant labelled specific binding members that include the subject water soluble polymeric dyes. Methods of evaluating a sample for the presence of a target analyte and methods of labelling a target molecule in which the subject polymeric dyes find use are also provided. Systems and kits for practicing the subject methods are also provided.

  提供了水溶性聚合物染料和聚合物串联染料。这些聚合物染料包括水溶性采光多色团，其具有芳基或杂芳基共聚单体的共轭段，包括由两种或两种以上水溶性聚合物组成的支化非离子水溶性基团（WSG）。在某些情况下，本公开的支化非离子水溶性基团（WSG）能使多色团在水中的溶解度超过 50 mg/mL。聚合物串联染料还包括与多色团共价连接的信号发色团，该信号发色团可接收能量。此外，还提供了抗聚集标记的特异性结合成员，其中包括上述水溶性聚合物染料。此外，还提供了评估样品中是否存在目标分析物的方法，以及对目标分子进行标记的方法，其中使用了该聚合物染料。此外，还提供了用于实施上述方法的系统和试剂盒。
• WATER-SOLUBLE POLYMERIC DYES
  申请人：Becton, Dickinson and Company

  公开号：US20180163054A1

  公开（公告）日：2018-06-14

  Water soluble polymeric dyes and polymeric tandem dyes are provided. The polymeric dyes include a water solvated light harvesting multichromophore having a conjugated segment of aryl or heteroaryl co-monomers including branched non-ionic water soluble groups (WSG) comprising two or more water soluble polymers. In some cases, the branched non-ionic water soluble groups (WSG) of the present disclosure are capable of imparting solubility in water in excess of 50 mg/mL to the multichromophore. The polymeric tandem dyes further include a signaling chromophore covalently linked to the multichromophore in energy-receiving proximity therewith. Also provided are aggregation-resistant labelled specific binding members that include the subject water soluble polymeric dyes. Methods of evaluating a sample for the presence of a target analyte and methods of labelling a target molecule in which the subject polymeric dyes find use are also provided. Systems and kits for practicing the subject methods are also provided.
• DEEP ULTRAVIOLET-EXCITABLE WATER-SOLVATED POLYMERIC DYES
  申请人：Becton, Dickinson and Company

  公开号：US20190194467A1

  公开（公告）日：2019-06-27

  Water solvated polymeric dyes having a deep ultraviolet excitation spectrum are provided. The subject polymeric dyes include a light harvesting multichromophore having conjugation-modifying repeat units incorporated into the polymer backbone to provide segments of π-conjugated co-monomers having limited π-conjugation between segments. Polymeric tandem dyes are also provided that further include a signaling chromophore covalently linked to the multichromophore in energy-receiving proximity therewith. Also provided are labelled specific binding members that include the subject water solvated polymeric dyes. Methods of evaluating a sample for the presence of a target analyte and methods of labelling a target molecule in which the subject polymeric dyes find use are also provided. Systems and kits for practicing the subject methods are also provided.
• Water-Soluble Polymeric Dyes
  申请人：Becton, Dickinson and Company

  公开号：US20200062966A1

  公开（公告）日：2020-02-27

  Water soluble polymeric dyes and polymeric tandem dyes are provided. The polymeric dyes include a water solvated light harvesting multichromophore having a conjugated segment of aryl or heteroaryl co-monomers including branched non-ionic water soluble groups (WSG) comprising two or more water soluble polymers. In some cases, the branched non-ionic water soluble groups (WSG) of the present disclosure are capable of imparting solubility in water in excess of 50 mg/mL to the multichromophore. The polymeric tandem dyes further include a signaling chromophore covalently linked to the multichromophore in energy-receiving proximity therewith. Also provided are aggregation-resistant labelled specific binding members that include the subject water soluble polymeric dyes. Methods of evaluating a sample for the presence of a target analyte and methods of labelling a target molecule in which the subject polymeric dyes find use are also provided. Systems and kits for practicing the subject methods are also provided.