2-(chloromethyl)-4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazine | 50259-03-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: 2-(chloromethyl)-4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazine
• 英文别名: 2-(chloromethyl)-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine；2-(chloromethyl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
• CAS: 50259-03-5
• 化学式: C₈H₁₄ClNO
• 分子量: 175.658
• InChiKey: NBKYUKLCGUANFZ-UHFFFAOYSA-N

物化性质

• 沸点：
  198.1±23.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  2-(chloromethyl)-4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazine 生成 4,4,6-trimethyl-2-styryl-5,6-dihydro-4H-[1,3]oxazine
  参考文献：
  名称：

  5,6-Dihydro-1,3-oxazines. XXIII. Chemistry of 2-chloromethyloxazines. Formation of phosphoranes and phosphonates. Use of .alpha.,.beta. unsaturated oxazines as a common intermediate for the synthesis of aldehydes, ketones, and acids

  摘要：

  DOI：

  10.1021/jo00919a009
• 作为产物：
  描述：

  2-甲基-2,4-戊二醇 、 氯乙腈 在 硫酸 作用下， 生成 2-(chloromethyl)-4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazine
  参考文献：
  名称：

  Chemistry of 1,6-dihydro-1,3-oxazines. XXII. Chemistry of 2-chloromethyl-5,6-dihydro-1,3-oxazines. Grignard coupling and metalation studies. Synthesis of .alpha.-chloroaldehydes and arylacetic acids

  摘要：

  DOI：

  10.1021/jo00919a008

文献信息

• [EN] BETA CARBOLINES AND USES THEREOF<br/>[FR] BÊTA-CARBOLINES ET LEURS UTILISATIONS
  申请人：MILLENNIUM PHARM INC

  公开号：WO2009067233A1

  公开（公告）日：2009-05-28

  This invention provides beta-carboline compounds of formula I: wherein R1, R2, R3, R4, R5, G, and x are as described in the specification. The compounds are useful for treating cancer and inflammatory disorders.

  本发明提供了公式I的β-咔啉化合物：其中R1、R2、R3、R4、R5、G和x如说明书所述。这些化合物可用于治疗癌症和炎症性疾病。
• Laurenco, Claude; Villien, Luc; Kaufmann, Gerard, Journal of Chemical Research, Miniprint, 1982, # 1, p. 232 - 252
  作者：Laurenco, Claude、Villien, Luc、Kaufmann, Gerard

  DOI：——

  日期：——
• Michael Addition of Chloroalkyloxazolines to Electron-Poor Alkenes:  Synthesis of Heterosubstituted Cyclopropanes
  作者：Maria Teresa Rocchetti、Vincenzo Fino、Vito Capriati、Saverio Florio、Renzo Luisi

  DOI：10.1021/jo026661r

  日期：2003.2.1

  Lithiated 2-(1-chloroethyl)-4,4-dimethyl-2-oxazoline 7 adds to electron-poor alkenyl heterocycles to afford substituted cyclopropanes in excellent yields. A route to chiral nonracemic heterosubstituted cyclopropanes, starting from optically active 2-chloromethyl-2-oxazolines, is highlighted as well.
• Modified Pictet–Spengler reaction. A highly diastereoselective approach to 1,2,3-trisubstituted-1,2,3,4-tetrahydro-β-carbolines using perhydro-1,3-heterocycles
  作者：Kamaljit Singh、Prasant K Deb、P Venugopalan

  DOI：10.1016/s0040-4020(01)00763-3

  日期：2001.9

  A flexible variant of the Pictet-Spengler reaction employing oxazinanes as synthetic equivalents of several carbonyl compounds has been developed. Using acid catalyzed one pot condensation of perhydro-1,3-heterocycles various 1,3-disubstituted and 1,2,3-trisubstituted-1,2,3,4-tetrahydro-beta -carbolines (THBCs) have been synthesized diastereoselectively. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Mikami, Koichi; Fujimoto, Katsuhiko; Nakai, Takeshi, Tetrahedron Letters, 1983, vol. 24, # 5, p. 513 - 516
  作者：Mikami, Koichi、Fujimoto, Katsuhiko、Nakai, Takeshi

  DOI：——

  日期：——