1-cyclohexyl-3-methyl-pyrimidine-2,4,6-trione | 65183-39-3

• 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: 1-cyclohexyl-3-methyl-pyrimidine-2,4,6-trione
• 英文别名: 1-Methyl-3-cyclohexylbarbitursaeure；1-Methyl-3-cyclohexylbarbituric acid；1-cyclohexyl-3-methyl-1,3-diazinane-2,4,6-trione
• CAS: 65183-39-3
• 化学式: C₁₁H₁₆N₂O₃
• 分子量: 224.26
• InChiKey: NVXGHIGYUKSUTD-UHFFFAOYSA-N

物化性质

• 熔点：
  92-93 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  328.5±25.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  57.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-cyclohexyl-3-methyl-pyrimidine-2,4,6-trione 生成 1-Methyl-3-cyclohexyl-6-chlor-uracil
  参考文献：
  名称：

  MARUMOTO, RYUDZI;FURUKAVA, SUMIYASU;KAVAI, KIEXISA

  摘要：

  DOI：
• 作为产物：
  描述：

  6-chloro-3-methyl-2H-1,3-oxazine-2,4(3H)-dione 、 环己胺 以35%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)。
• Isoxazolo[3,4-d]pyrimidines
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04202975A1

  公开（公告）日：1980-05-13

  Isoxazolo[3,4-d]pyrimidines of the formula ##STR1## wherein R.sup.1, R.sup.2 and R.sup.3, respectively, are hydrogen, lower alkyl, cycloalkyl, or aryl which may be substituted by halogen, are useful as antiinflammatory-analgesic drugs, and the industrially feasible production thereof is provided.

  式为##STR1##的异噁唑[3,4-d]嘧啶，其中R.sup.1，R.sup.2和R.sup.3分别为氢，低烷基，环烷基或芳基，可以被卤素取代，可用作抗炎镇痛药物，其工业可行的生产方法也提供了。
• Isoxazolo[3,4-d]pyrimidines useful as antiinflammatory-analgesic agents
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04129654A1

  公开（公告）日：1978-12-12

  Isoxazolo[3,4-d]pyrimidines of the formula ##STR1## wherein R.sup.1, R.sup.2 and R.sup.3 respectively, are hydrogen, lower alkyl, cycloalkyl, or aryl which may be substituted by halogen, are useful as antiinflammatory-analgesic drugs, and the industrially feasible production thereof is provided.

  式为##STR1##的异噁唑并[3,4-d]嘧啶化合物，其中R.sup.1，R.sup.2和R.sup.3分别为氢，低级烷基，环烷基或芳基，该芳基可能被卤素取代，可用作抗炎痛药物，并提供了其工业上可行的制备方法。
• 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.