5-Methyl-1-((3S,6S)-6-methyl-5-oxo-morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione | 191655-57-9

• 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: 5-Methyl-1-((3S,6S)-6-methyl-5-oxo-morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione
• CAS: 191655-57-9
• 化学式: C₁₁H₁₅N₃O₄
• 分子量: 253.258
• InChiKey: DDAQFLJJGYMUTA-YUMQZZPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.25
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  93.19
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-Methyl-1-((3S,6S)-6-methyl-5-oxo-morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione 在 盐酸 作用下， 反应 2.0h， 生成 (S)-2-[(S)-2-Amino-3-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propoxy]-propionic acid; hydrochloride
  参考文献：
  名称：

  Polyamide based nucleic acid analogs — synthesis of δ-amino acids with nucleic acid bases bearing side chains

  摘要：

  Nucleoamino acids of type I - III have been synthesized, which can serve as building blocks for novel polyamide based nucleic acid analogs. Key steps in the syntheses are the alkylation of serinol I and homoserinol 18 with tert-butyl bromoacetate or tert-butyl bromopropionate under phase transfer conditions and the introduction of thymine or uracil into the amino acid side chains by way of a Mitsunobu reaction. Cytosine derivatives were prepared through uracil --> cytosine base conversion at the stage of N-delta-BOC protected amino acid tert-butyl esters. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00172-8
• 作为产物：
  描述：

  (S)-2-[(S)-2-Amino-3-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propoxy]-propionic acid; compound with trifluoro-acetic acid 以 四氢呋喃 为溶剂， 反应 4.0h， 以36%的产率得到5-Methyl-1-((3S,6S)-6-methyl-5-oxo-morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Polyamide based nucleic acid analogs — synthesis of δ-amino acids with nucleic acid bases bearing side chains

  摘要：

  Nucleoamino acids of type I - III have been synthesized, which can serve as building blocks for novel polyamide based nucleic acid analogs. Key steps in the syntheses are the alkylation of serinol I and homoserinol 18 with tert-butyl bromoacetate or tert-butyl bromopropionate under phase transfer conditions and the introduction of thymine or uracil into the amino acid side chains by way of a Mitsunobu reaction. Cytosine derivatives were prepared through uracil --> cytosine base conversion at the stage of N-delta-BOC protected amino acid tert-butyl esters. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00172-8