4,6-dimethoxy-4-methyl-1,4-dihydro-3,1-benzoxazine-2-thione | 1313233-31-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 4,6-dimethoxy-4-methyl-1,4-dihydro-3,1-benzoxazine-2-thione
• 英文别名: 4,6-dimethoxy-4-methyl-1H-3,1-benzoxazine-2-thione
• CAS: 1313233-31-6
• 化学式: C₁₁H₁₃NO₃S
• 分子量: 239.295
• InChiKey: LQRXRTAKFOGTGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl 2-isothiocyanato-5-methoxybenzoate 、 甲基锂 在 氯化铵 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.17h， 以75%的产率得到4,6-dimethoxy-4-methyl-1,4-dihydro-3,1-benzoxazine-2-thione
  参考文献：
  名称：

  One-pot synthesis of 4-substituted 4-alkoxy-1,4-dihydro-3,1-benzoxazine-2-thiones by the reaction of 2-isothiocyanatobenzoates with organolithiums

  摘要：

  An efficient one-pot procedure for the preparation of 4-substituted 4-alkoxy-1,4-dihydro-3,1-benzoxazine-2-thiones from 2-isothiocyanatobenzoates has been developed. Thus, 2-isothiocyanatobenzoates were reacted with organolithiums including lithium enolates of acetates and tertiary acetamides in THF at -78 degrees C to give the desired products in generally good yields. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.04.088

文献信息

• One-pot synthesis of 4-substituted 4-alkoxy-1,4-dihydro-3,1-benzoxazine-2-thiones by the reaction of 2-isothiocyanatobenzoates with organolithiums
  作者：Kazuhiro Kobayashi、Hiroo Hashimoto、Yuuki Kanbe、Hisatoshi Konishi

  DOI：10.1016/j.tet.2011.04.088

  日期：2011.6

  An efficient one-pot procedure for the preparation of 4-substituted 4-alkoxy-1,4-dihydro-3,1-benzoxazine-2-thiones from 2-isothiocyanatobenzoates has been developed. Thus, 2-isothiocyanatobenzoates were reacted with organolithiums including lithium enolates of acetates and tertiary acetamides in THF at -78 degrees C to give the desired products in generally good yields. (C) 2011 Elsevier Ltd. All rights reserved.