5-Hexyl-2,4-dimethyloxazole | 20662-85-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-Hexyl-2,4-dimethyloxazole
• 英文别名: Oxazole, 5-hexyl-2,4-dimethyl-；5-hexyl-2,4-dimethyl-1,3-oxazole
• CAS: 20662-85-5
• 化学式: C₁₁H₁₉NO
• 分子量: 181.278
• InChiKey: PFPGGXLERJDRPB-UHFFFAOYSA-N

物化性质

• LogP：
  3.748 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 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：

  2-(Trimethylsilyl)-2-<(trimethylsilyl)oxy>octanenitrile 在 三氟甲磺酸三甲基硅酯 作用下， 以 二氯甲烷 为溶剂， 反应 74.0h， 生成 5-Hexyl-2,4-dimethyloxazole
  参考文献：
  名称：

  Synthesis of oxazoles from O-trimethylsilyl acyltrimethylsilane cyanohydrins

  摘要：

  Sequential addition of organolithium reagents and acyl chlorides (or anhydrides) to O-trimethylsilyl acyltrimethylsilane cyanohydrins affords beta-(acyloxy)-N,N-bis(trimethylsilyl) enamines which cyclize to substituted oxazoles under thermolysis or treatment with trimethylsilyl trifluoromethanesulfonate. Oxazoles were prepared containing alkyl and phenyl substituents at C-5, alkyl, alkenyl, and phenyl substituents at C-4, and alkyl, alkenyl, phenyl, and functionalized substituents at C-2.

  DOI：

  10.1021/jo00038a020

文献信息

• HETEROCYCLIC COMPOUND AND HETEROCYCLIC POLYMERS
  申请人：Tanaka Kenta

  公开号：US20090318651A1

  公开（公告）日：2009-12-24

  The present invention provides a heterocyclic compound of the following general formula (I): wherein X and Y are different from each other and represent a halogen atom selected from among a chlorine atom, bromine atom and iodine atom, or CF 3 SO 3 − , CH 3 SO 3 − , C 6 H 5 SO 3 − or CH 3 C 6 H 4 SO 3 − ; R 1 represents an optionally substituted monovalent aliphatic hydrocarbon group having two or more carbon atoms; one of A 1 and A 2 represents —S—, —O—, —Se— or Te—, while the other represents —N═, —P═ or —Si(R 2 )═, wherein R 2 represents a hydrogen atom, an optionally substituted monovalent hydrocarbon group, a halogen atom, an amino group or a carbonyl group; and one of two linkages each represented by a solid line and a dashed line is a single bond, while the other is a double bond.

  本发明提供了一种杂环化合物，其一般式如下（I）：其中X和Y不同于彼此，表示从氯原子、溴原子和碘原子中选择的卤素原子，或CF3SO3−、CH3SO3−、C6H5SO3−或CH3C6H4SO3−；R1表示一个可选择性取代的具有两个或更多碳原子的单价脂肪烃基；A1和A2中的一个表示—S—、—O—、—Se—或Te—，而另一个表示—N═、—P═或—Si(R2)═，其中R2表示氢原子、可选择性取代的单价烃基、卤素原子、氨基或羰基；两个由实线和虚线表示的链接中的一个是单键，而另一个是双键。
• US8940856B2
  申请人：——

  公开号：US8940856B2

  公开（公告）日：2015-01-27
• Synthesis of oxazoles from O-trimethylsilyl acyltrimethylsilane cyanohydrins
  作者：Robert F. Cunico、Chia P. Kuan

  DOI：10.1021/jo00038a020

  日期：1992.6

  Sequential addition of organolithium reagents and acyl chlorides (or anhydrides) to O-trimethylsilyl acyltrimethylsilane cyanohydrins affords beta-(acyloxy)-N,N-bis(trimethylsilyl) enamines which cyclize to substituted oxazoles under thermolysis or treatment with trimethylsilyl trifluoromethanesulfonate. Oxazoles were prepared containing alkyl and phenyl substituents at C-5, alkyl, alkenyl, and phenyl substituents at C-4, and alkyl, alkenyl, phenyl, and functionalized substituents at C-2.