4,6-dimethoxy-4-(1,1-dimethylethyl)-1,4-dihydro-3,1-benzoxazine-2-thione | 1313233-32-7

• 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-(1,1-dimethylethyl)-1,4-dihydro-3,1-benzoxazine-2-thione
• 英文别名: 4-tert-butyl-4,6-dimethoxy-1H-3,1-benzoxazine-2-thione
• CAS: 1313233-32-7
• 化学式: C₁₄H₁₉NO₃S
• 分子量: 281.376
• InChiKey: YVEFDAMQTVHJDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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-formylamino-5-methoxybenzoate 在 selenium 、 sulfur 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 生成 4,6-dimethoxy-4-(1,1-dimethylethyl)-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.