2-(3-fluorophenyl)-4,4-dimethyl-4,5-dihydrooxazole | 74018-54-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3-fluorophenyl)-4,4-dimethyl-4,5-dihydrooxazole
• 英文别名: 2-(-3-fluorophenyl)-4,4-dimethyl-2-oxazoline；2-(3-fluorophenyl)-4,4-dimethyl-2-oxazoline；4,4-dimethyl-2-(3-fluorophenyl)-2-oxazoline；(m-fluorophenyl)oxazoline；2-(3-fluoro-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole；2-(3-fluorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole；2-(3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
• CAS: 74018-54-5
• 化学式: C₁₁H₁₂FNO
• mdl: MFCD09909419
• 分子量: 193.221
• InChiKey: WRFCJLBPEINJNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-fluorophenyl)-4,4-dimethyl-4,5-dihydrooxazole 在 盐酸 、 仲丁基锂 作用下， 反应 14.5h， 生成 4-Fluoro-3-hydroxy-1(3H)-isobenzofuranone
  参考文献：
  名称：

  Synthesis of 1-fluoro-, 4-fluoro-, and 1,4-difluoro-4-demethoxydaunomycinone. Interesting D-ring analogs of adriamycin

  摘要：

  DOI：

  10.1021/jo00381a001
• 作为产物：
  描述：

  间氟苯甲酸 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 2-(3-fluorophenyl)-4,4-dimethyl-4,5-dihydrooxazole
  参考文献：
  名称：

  Synthesis of 1-fluoro-, 4-fluoro-, and 1,4-difluoro-4-demethoxydaunomycinone. Interesting D-ring analogs of adriamycin

  摘要：

  DOI：

  10.1021/jo00381a001

文献信息

• Preparation of Polyfunctionalized Aromatic Nitriles from Aryl Oxazolines
  作者：A. Hess、H. C. Guelen、N. Alandini、A. Mourati、Y. C. Guersoy、P. Knochel

  DOI：10.1002/chem.202103700

  日期：2022.1.3

  Aryl nitriles from oxazolines: We report a new method for for preparing highly functionalized tri-, tetra- and penta-substituted aromatic nitriles by using two successive magnesiations with sBu2Mg in toluene followed by trapping reactions with a broad range of electrophiles followed by an efficient conversion of the oxazolyl-directing group to a nitrile function by using oxalyl chloride and catalytic

  来自恶唑啉的芳基腈：我们报道了一种制备高官能化三、四和五取代芳香腈的新方法，该方法通过在甲苯中使用s Bu 2 Mg 进行两次连续的镁化，然后与多种亲电子试剂发生捕获反应，然后使用草酰氯和催化量的 DMF（50 °C，4 小时）将恶唑基导向基团有效转化为腈官能团。
• NEW COMPOUNDS I/418
  申请人：Bjore Annika

  公开号：US20080015237A1

  公开（公告）日：2008-01-17

  There is provided compounds of formula I, wherein R 1 to R 7 have meanings given in the description, which are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias.

  提供了式I的化合物， 其中R1至R7在描述中给出了它们的含义，这些化合物在预防和治疗心律失常方面非常有用，特别是房性和室性心律失常。
• Anti-inflammatory benzylselenobenzamides made from anilines and
  申请人：A. Nattermann & Cie. GmbH

  公开号：US05141955A1

  公开（公告）日：1992-08-25

  Anti-inflammatory benzylselanobenzamides made from anilines and benzylamines have the formula I ##STR1## are disclosed wherein R is hydrogen, methyl or ethyl; R.sup.1 and R.sup.2 are the same or different and, taken separately, are hydrogen, fluorine, chlorine, bromine, C.sub.1 to C.sub.4 alkyl, C.sub.1 to C.sub.4 alkoxy, hydroxy, cyano, amino, dimethylamino or nitro; and R.sup.3 and R.sup.4 are the same or different and, taken separately, are hydrogen, fluorine, chlorine, bromine, C.sub.1 to C.sub.4 alkyl, C.sub.1 to C.sub.4 alkoxy, hydroxy, cyano, or nitro and, taken together, represent methylenedioxy; and n is 0.1 or 2.

  由苯胺和苄胺制成的抗炎苄硒苯甲酰胺具有以下结构式I的化学式，其中R为氢、甲基或乙基；R.sup.1和R.sup.2相同或不同，分别为氢、氟、氯、溴、C.sub.1至C.sub.4烷基、C.sub.1至C.sub.4烷氧基、羟基、氰基、氨基、二甲胺基或硝基；R.sup.3和R.sup.4相同或不同，分别为氢、氟、氯、溴、C.sub.1至C.sub.4烷基、C.sub.1至C.sub.4烷氧基、羟基、氰基或硝基，或者一起表示亚甲二氧基；n为0.1或2。
• Synthesis of symmetrical triarylphosphines from aryl fluorides and red phosphorus: scope and limitations
  作者：Terence L Schull、Susan L Brandow、Walter J Dressick

  DOI：10.1016/s0040-4039(01)01059-0

  日期：2001.8

  The reaction of aryl fluorides with phosphide anion, generated in situ from the reduction of red phosphorus by lithium metal in liquid ammonia, gave symmetrical triarylphosphines in fair to good yields. Phosphonodiamide, sulfonamide, 2-oxazolyl, and nitrile groups were stable to the reaction conditions, while nitro and bromo substituents were not. para-Substituted aryl fluorides gave higher yields

  液态氟化锂中的锂金属还原红磷后，原位生成的芳基氟化物与磷阴离子发生反应，得到对称的三芳基膦，收率相当好。膦二酰胺，磺酰胺，2-恶唑基和腈基对反应条件稳定，而硝基和溴取代基则不稳定。对位取代的芳基氟化物比间位取代的芳基氟化物具有更高的产率，并且邻位取代的芳基氟化物未能反应。
• Antiinflammatory benzylselenobenzamides from aminopyridines and
  申请人：A. Nattermann & Cie. GmbH

  公开号：US05114954A1

  公开（公告）日：1992-05-19

  Benzylselenobenzamides of formula I ##STR1## with inflammation-inhibiting characteristics and used in pharmaceutical preparations.

  公式I的苯基硒苯甲酰胺具有抗炎特性，并用于制药制剂。