3-(t-butyl)-5-phenyl-2-isoxazoline | 91157-51-6

• 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: 3-(t-butyl)-5-phenyl-2-isoxazoline
• 英文别名: 5-Phenyl-3-tert-butyl-Δ²-isoxazoline；3-(tert-butyl)-5-phenylisoxazoline；3-Tert-butyl-5-phenyl-4,5-dihydroisoxazole；3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole
• CAS: 91157-51-6
• 化学式: C₁₃H₁₇NO
• 分子量: 203.284
• InChiKey: GAJQZFVOKMVYST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(t-butyl)-5-phenyl-2-isoxazoline 在 disodium hydrogenphosphate 、 三氟过氧乙酸 、 镍 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 3-羟基-3-苯基丙酸叔丁酯
  参考文献：
  名称：

  Reduction of substituted .DELTA.2-isoxazolines. Synthesis of .beta.-hydroxy acid derivatives

  摘要：

  DOI：

  10.1021/jo00193a008
• 作为产物：
  描述：

  2,2-dimethylpropionaldehyde oxime 在 benzyltrimethylazanium tetrachloro-λ³-iodanuide 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 3-(t-butyl)-5-phenyl-2-isoxazoline
  参考文献：
  名称：

  Synthesis of Hydroximoyl Chlorides from Aldoximes and Benzyltrimethylammonium Tetrachloroiodate (BTMA ICl4)

  摘要：

  Benzyltrimethylammonium tetrachloroiodate (BTMA ICl4) acts as a convenient reagent to convert aldoximes to hydroximoyl chlorides by a simple procedure. When an aldoxime is treated with BTMA ICl4 in dichloromethane, the suspension of BTMA ICl4 shortly diasappears as the reaction proceeds. The resulting BTMA ICl2 can he precipitated out by adding diethyl ether. Not only stable aromatic and heteroaromatic hydroximoyl chlorides can be isolated by this method but also rather unstable aliphatic hydroximoyl chlorides can be generated in situ. 1,3-Dipole trapping with a dipolarophile is performed in one flask and in some cases the chlorination is successfully performed in the presence of dipolarophile and triethylamine. Effect of MS 4A has been examined. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)01047-9

文献信息

• COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE
  申请人：SHY Therapeutics LLC

  公开号：US20170174699A1

  公开（公告）日：2017-06-22

  Provided herein are compounds that inhibit the phosphorylation of MAPK and thus are useful in compositions and methods for treating cancer and inflammatory disease.

  本文提供了抑制MAPK磷酸化的化合物，因此可用于治疗癌症和炎症性疾病的组合物和方法。
• Asymmetric Synthesis of 3-Hydroxyprolines by Photocyclization of C(1?)-SubstitutedN-(2-Benzoylethyl)glycine Esters
  作者：Andr� Steiner、Pablo Wessig、Kurt Polborn

  DOI：10.1002/hlca.19960790709

  日期：1996.10.30

  C(1′)-substituents. Irradiation of ketones 5d and 5f, bearing H-atoms at C(γ) with respect to the keto function, gave cyclobutanols (Scheme 9) in low yields besides the preferred Norrish-type-II cleavage product. Cyclopentanol 25 was a by-product of the photocyclization of 5c as a result of HC(δ) abstraction from the t-Bu group. The structure of products 20, 22, and 24a, b was established by NMR or X-ray analyses.

  手性ñ - （2-苯甲酰乙基） - ñ -tosylglycine酯5A-H和α氨基γ酮酯6是从γ-（甲苯磺酰）醇制备7A-H 。化合物的照射5A-C，E，得到顺式-3-羟基脯氨酸酯20-23（方案6），部分地与完整不对称诱导由C（1'） -的取代基，而6得到对映体纯的4-羟基-4-苯基-L-脯氨酸酯24的收率好，但是de较低（方案6）。光环化的定义取决于C（1'）取代基的性质和/或大小。酮辐照5d在优选的Norrish -II-型裂解产物之外，图5f和5f所示，相对于酮基官能团在C（γ）处带有H-原子的化合物以低收率得到了环丁醇（方案9）。环戊醇25是的photocyclization的副产品5C为从HC（δ）的抽象的结果吨-Bu基。通过NMR或X射线分析确定产物20、22和24a，b的结构。
• Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease
  申请人：SHY Therapeutics LLC

  公开号：US10588894B2

  公开（公告）日：2020-03-17

  Provided herein are methods and compositions for treating cancers, inflammatory diseases, rasopathies, and fibrotic disease involving aberrant Ras superfamily signaling through the binding of compounds to the GTP binding domain of Ras superfamily proteins including, in certain cases, K-Ras and mutants thereof, and a novel method for assaying such compositions.

  本文提供了通过化合物与 Ras 超家族蛋白（在某些情况下包括 K-Ras 及其突变体）的 GTP 结合结构域结合，治疗涉及 Ras 超家族信号异常的癌症、炎症性疾病、rasopathies 和纤维化疾病的方法和组合物，以及检测此类组合物的新方法。
• New aspects of nitrosation of arylcyclopropanes: nitrosation of phenylcyclopropanes with bulky alkyl substituents in the small ring
  作者：O. B. Bondarenko、A. Yu. Gavrilova、L. G. Saginova、N. V. Zyk、N. S. Zefirov

  DOI：10.1007/s10593-009-0184-z

  日期：2008.10

  It has been shown for the first time that nitrosation of phenylcyclopropanes with bulky alkyl substituents in the small ring proceeds predominantly with attack of the nitrosonium cation on the benzyl carbon atom of the cyclopropane ring with intermediate formation of an alkyl carbocation. In addition to isoxazolines, 1,2-oxazines and Delta(1)-pyrroline N-oxide are formed, formation of the latter is preceded by skeletal rearrangement.
• CURRAN, D. P.;SCANGA, S. A.;FENK, CH. J., J. ORG. CHEM., 1984, 49, N 19, 3474-3478
  作者：CURRAN, D. P.、SCANGA, S. A.、FENK, CH. J.

  DOI：——

  日期：——

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