N-methyl-N'-benzyl-barbituric acid | 82922-17-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-methyl-N'-benzyl-barbituric acid
• 英文别名: 1-Benzyl-3-methyl-1,3-diazinane-2,4,6-trione
• CAS: 82922-17-6
• 化学式: C₁₂H₁₂N₂O₃
• 分子量: 232.239
• InChiKey: GCKDGFOYFCNTNC-UHFFFAOYSA-N

物化性质

• 熔点：
  109-110 °C(Solv: benzene (71-43-2); hexane (110-54-3))
• 沸点：
  363.6±35.0 °C(Predicted)
• 密度：
  1.316±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  57.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-chloro-3-methyl-2H-1,3-oxazine-2,4(3H)-dione 、 苄胺 以67%的产率得到
  参考文献：
  名称：

  YOGO, MOTOI;HIROTA, KOSAKU;SENDA, SHIGEO, CHEM. AND PHARM. BULL., 1982, 30, N 4, 1333-1337

  摘要：

  DOI：

文献信息

• Pyrimidine derivatives and related compounds. XLIII. Studies on the mechanism of the ring transformation of 6-chloro-1,3-oxazine-2,4-diones to barbituric acids.
  作者：MOTOI YOGO、KOSAKU HIROTA、SHIGEO SENDA

  DOI：10.1248/cpb.30.1333

  日期：——

  The mechanism of the ring transformation of 6-chloro-1, 3-oxazine-2, 4-diones (1) into barbituric acids (2) in the presence of primary aliphatic amines was studied. It has been elucidated that the mechanism involves initial attack on the 2-position of 1 by an amine and subsequent intramolecular cyclization of the ureide intermediate (5).

  研究人员对 6-氯-1，3-恶嗪-2，4-二酮（1）在初级脂肪族胺存在下环状转化为巴比妥酸（2）的机理进行了研究。已阐明的机理包括胺对 1 的 2 位的初始攻击，以及随后脲中间体的分子内环化 (5)。
• Krasnov; Slesarev, Russian Journal of Organic Chemistry, 1997, vol. 33, # 4, p. 543 - 548
  作者：Krasnov、Slesarev

  DOI：——

  日期：——
• FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME
  申请人：Mars, Incorporated

  公开号：EP3229610B1

  公开（公告）日：2021-06-09
• Agent for dyeing fibers containing keratin
  申请人：Hoeffkes Horst

  公开号：US20050262647A1

  公开（公告）日：2005-12-01

  An agent for dyeing keratin-containing fibers, in particular, human hair, to give the fibers fashionable bright colors. The agent comprises A) an oxidizing agent, B) a CH-acidic compound and C) a reactive carbonyl compound. The invention also includes a process for dyeing keratin-containing fibers with the agent.
• Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative
  申请人：Andrean Herve

  公开号：US20070130702A1

  公开（公告）日：2007-06-14

  The present invention relates to the use, for dyeing keratin fibres, of at least one specific compound containing active methylene and of at least one compound chosen from an aldehyde, a ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative, which makes it possible to obtain, by reaction without an oxidizing agent, a coloration of the said keratin fibres.