2-(1-methylpropyl)-5-phenyloxazole | 1441641-41-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(1-methylpropyl)-5-phenyloxazole
• 英文别名: 2-(sec-butyl)-5-phenyloxazole；2-Butan-2-yl-5-phenyl-1,3-oxazole；2-butan-2-yl-5-phenyl-1,3-oxazole
• CAS: 1441641-41-3
• 化学式: C₁₃H₁₅NO
• 分子量: 201.268
• InChiKey: PFQRAVWJXGMDJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  isoleucine 、 苯乙炔 在 copper(II) nitrate trihydrate 、 碘 作用下， 以 二甲基亚砜 为溶剂， 反应 5.0h， 以73%的产率得到2-(1-methylpropyl)-5-phenyloxazole
  参考文献：
  名称：

  芳基乙炔和α-氨基酸通过I2/Cu(NO3)2•3H2O辅助多米诺序列合成2,5-二取代恶唑

  摘要：

  在 Cu(NO3)2•3H2O 和碘的存在下，从容易获得的芳基乙炔和 α-氨基酸合成 2,5-二取代恶唑的新策略已经开发出来。该反应过程包括 I2/Cu(NO3)2•3H2O 辅助芳基乙炔转化为 α-碘苯乙酮、Kornblum 氧化为苯乙二醛、缩合为亚胺、脱羧/环化/氧化反应序列以接近 2,5-二取代恶唑。

  DOI：

  10.1055/s-0037-1612087

文献信息

• [EN] 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS 3H-IMIDAZO[5,1-D][1,2,3,5-TÉTRAZIN-4-ONE 3-SUBSTITUÉS-8-SUBSTITUÉS ET LEUR UTILISATION
  申请人：PHARMINOX LTD

  公开号：WO2010149968A1

  公开（公告）日：2010-12-29

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds of the following formula, wherein -A and -B are as defined herein (collectively referred to herein as 38TM compounds): (1). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cell proliferation, and in the treatment of proliferative disorders such as cancer, etc., and methods of preparing such compounds.

  本发明一般涉及治疗化合物领域，更具体地涉及以下公式的3-取代-8-取代-3H-咪唑[5,1-d][1,2,3,5]四唑-4-酮化合物，其中-A和-B如本文所定义（统称为38TM化合物）：（1）。本发明还涉及包含这种化合物的药物组合物，以及利用这种化合物和组合物在体外和体内抑制细胞增殖，治疗增生性疾病如癌症等的用途，以及制备这种化合物的方法。
• Direct Synthesis of 2,5-Disubstituted Oxazoles through an Iodine-Catalyzed Decarboxylative Domino Reaction
  作者：Wei Xu、Ulrich Kloeckner、Boris J. Nachtsheim

  DOI：10.1021/jo400753n

  日期：2013.6.21

  An efficient iodine-catalyzed synthesis of highly substituted oxazoles is presented. Starting from readily available aryl methyl ketones, β-keto esters, or styrenes, in combination with α-amino acids as amine-containing coupling partners, the corresponding 2-alkyl-5-aryl- substituted oxazoles were obtained in up to 80% yield via a decarboxylative domino reaction.

  提出了一种高效的碘催化的高度取代的恶唑合成方法。从容易获得的芳基甲基酮，β-酮酸酯或苯乙烯与α-氨基酸（作为含胺的偶联伙伴）结合开始，可以以高达80％的收率获得相应的2-烷基-5-芳基取代的恶唑通过脱羧多米诺反应。
• ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN FILM THEREFROM AND METHOD OF FORMING PATTERN USING THE COMPOSITION
  申请人：TAKAHASHI Toshiya

  公开号：US20130045445A1

  公开（公告）日：2013-02-21

  Provided is an actinic-ray- or radiation-sensitive resin composition including a resin (P) comprising a repeating unit (A) containing a group that when exposed to actinic rays or radiation, is decomposed to thereby generate an acid and a repeating unit (B) containing a group that when acted on by an acid, is decomposed to thereby increase its solubility in an alkali developer, and any of compounds (Q) of general formula (1) below.
• US7312209B2
  申请人：——

  公开号：US7312209B2

  公开（公告）日：2007-12-25
• Synthesis of 2,5-Disubstituted Oxazoles from Arylacetylenes and α-Amino Acids through an I2/Cu(NO3)2•3H2O-Assisted Domino Sequence
  作者：Anxin Wu、Jungang Wang、Yan Cheng、Jiachen Xiang

  DOI：10.1055/s-0037-1612087

  日期：2019.4

  5-disubstituted oxazoles from easily available arylacetylenes and α-amino acids in the presence of Cu(NO3)2•3H2O and iodine. This reaction ­process involves the I2/Cu(NO3)2•3H2O-assisted transformation of ­arylacetylene to α-iodo acetophenone, Kornblum oxidation to phenylglyoxal, condensation to imine, decarboxylation/annulation/oxidation reaction sequence to approach 2,5-disubstituted oxazoles.

  在 Cu(NO3)2•3H2O 和碘的存在下，从容易获得的芳基乙炔和 α-氨基酸合成 2,5-二取代恶唑的新策略已经开发出来。该反应过程包括 I2/Cu(NO3)2•3H2O 辅助芳基乙炔转化为 α-碘苯乙酮、Kornblum 氧化为苯乙二醛、缩合为亚胺、脱羧/环化/氧化反应序列以接近 2,5-二取代恶唑。