7-甲基-2H-1,3-苯并噁嗪-2,4(3H)-二酮 | 702637-77-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 7-甲基-2H-1,3-苯并噁嗪-2,4(3H)-二酮
• 英文名称: (R)-4-menthen-3-one anti-oxime
• 英文别名: (R)-4-menthen-3-one antioxime；(R)-4-menthenone anti-oxime；(R)-5-methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime；(NE)-N-[(5R)-5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine
• CAS: 702637-77-2
• 化学式: C₁₀H₁₇NO
• 分子量: 167.251
• InChiKey: NKTMRRGTDXWPOK-IRXCETGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-甲基-2H-1,3-苯并噁嗪-2,4(3H)-二酮 在 吡啶 作用下， 反应 4.5h， 生成 (S)-3,7-dimethyl-6-oxooctanoic acid methyl ester
  参考文献：
  名称：

  (R)-4-Menthen-3-one anti-Oxime and Its Transformation under Beckman Rearrangement Conditions

  摘要：

  (R)-4-Menthenone anti-oxime was synthesized for the first time. Its transformations under Beckman rearrangement conditions were studied.

  DOI：

  10.1023/b:conc.0000018111.69227.fb
• 作为产物：
  描述：

  (R)-4-menthen-3-one 在 吡啶 、 盐酸羟胺 作用下， 反应 1.0h， 以77%的产率得到7-甲基-2H-1,3-苯并噁嗪-2,4(3H)-二酮
  参考文献：
  名称：

  (R)-4-Menthen-3-one anti-Oxime and Its Transformation under Beckman Rearrangement Conditions

  摘要：

  (R)-4-Menthenone anti-oxime was synthesized for the first time. Its transformations under Beckman rearrangement conditions were studied.

  DOI：

  10.1023/b:conc.0000018111.69227.fb

文献信息

• (R)-n-menth-4-en-3-one and its Derivatives in Reactions with N-containing Reagents
  作者：G. Yu. Ishmuratov、V. S. Tukhvatshin、M. P. Yakovleva、R. R. Muslukhov、A. V. Allagulova、G. R. Talipova

  DOI：10.1007/s10600-014-0929-5

  日期：2014.5

  The reactions of (R)-n-menth-4-en-3-one and its derivatives with N-containing reagents were studied. New menthane-type acetamides were synthesized.

  研究了(R)-n-薄荷-4-烯-3-酮及其衍生物与含氮试剂的反应。合成了新的薄荷烷类乙酰胺。
• (R)-4-menthenone in reactions of 1,4-conjugate and 1,3-dipolar addition
  作者：G. Yu. Ishmuratov、E. R. Latypova、P. Ya. Kharisov、R. R. Muslukhov、A. A. Bannova、R. F. Talipov、G. A. Tolstikov

  DOI：10.1134/s1070428008050035

  日期：2008.5

  (R)-4-Menthenone compared with common cyclic enones exhibits considerably lower reactivity in 1,4-conjugate addition of organometallic reagents, is inert in Michael reactions and pyrazoline formation evidently due both to the distorted polarization in the enone system and to steric hindrances from the alpha-isopropyl group in the cyclohexene ring.
• (R)-4-Menthen-3-one anti-Oxime and Its Transformation under Beckman Rearrangement Conditions
  作者：R. Ya. Kharisov、E. R. Latypova、R. F. Talipov、R. R. Muslukhov、G. Yu. Ishmuratov、G. A. Tolstikov

  DOI：10.1023/b:conc.0000018111.69227.fb

  日期：2003.11

  (R)-4-Menthenone anti-oxime was synthesized for the first time. Its transformations under Beckman rearrangement conditions were studied.