N-methyl-2,3-dihydro-1H-6,8-dibromobenzyl[1,2-e][1,3]oxazine | 35183-34-7

• 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: N-methyl-2,3-dihydro-1H-6,8-dibromobenzyl[1,2-e][1,3]oxazine
• 英文别名: 3-Methyl-6.8-dibrom-3.4-dihydro-2H-1.3-benzoxazin；6.8-Dibrom-3-methyl-3.4-dihydro-2H-1.3-benzoxazin；6,8-dibromo-3-methyl-3,4-dihydro-2H-benzo[e][1,3]oxazine；6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine；6,8-dibromo-3-methyl-2,4-dihydro-1,3-benzoxazine
• CAS: 35183-34-7
• 化学式: C₉H₉Br₂NO
• 分子量: 306.985
• InChiKey: DHJRZMXVKLNNTF-UHFFFAOYSA-N

物化性质

• 沸点：
  325.3±42.0 °C(Predicted)
• 密度：
  1.798±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-methyl-2,3-dihydro-1H-6,8-dibromobenzyl[1,2-e][1,3]oxazine 在 boron trioxide 作用下， 以 甲醇 、 二氯甲烷 、 苯 为溶剂， 反应 12.0h， 生成 cis-N-methyl-1-methoxy-3,5-dibromophenyl[1,2-c]naphthyl[1,2-h]-8-aza-1-bora-2,16-dioxabicyclooctane
  参考文献：
  名称：

  Synthesis of dioxazaborocines from N-substituted-bis(2-hydroxyaryl)aminomethylamines

  摘要：

  The preparation of a number of tripodal amines from aminoalkylation of 1,3-benzoxazines by phenols is presented. A series of ligands prepared in this manner were successfully coordinated to boron, giving dioxazaborocines. X-ray crystal structures of two analogues are reported. These compounds are capable of releasing berate ions and are therefore potentially biologically active. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00510-0
• 作为产物：
  描述：

  聚合甲醛 、 2,4-二溴苯酚 、 甲胺 以 甲醇 、 水 为溶剂， 反应 12.0h， 以51%的产率得到N-methyl-2,3-dihydro-1H-6,8-dibromobenzyl[1,2-e][1,3]oxazine
  参考文献：
  名称：

  Synthesis of dioxazaborocines from N-substituted-bis(2-hydroxyaryl)aminomethylamines

  摘要：

  The preparation of a number of tripodal amines from aminoalkylation of 1,3-benzoxazines by phenols is presented. A series of ligands prepared in this manner were successfully coordinated to boron, giving dioxazaborocines. X-ray crystal structures of two analogues are reported. These compounds are capable of releasing berate ions and are therefore potentially biologically active. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00510-0

文献信息

• Synthesis of dioxazaborocines from N-substituted-bis(2-hydroxyaryl)aminomethylamines
  作者：Paul D Woodgate、Gillian M Horner、N.Paul Maynard、Clifton E.F Rickard

  DOI：10.1016/s0022-328x(99)00510-0

  日期：1999.12

  The preparation of a number of tripodal amines from aminoalkylation of 1,3-benzoxazines by phenols is presented. A series of ligands prepared in this manner were successfully coordinated to boron, giving dioxazaborocines. X-ray crystal structures of two analogues are reported. These compounds are capable of releasing berate ions and are therefore potentially biologically active. (C) 1999 Elsevier Science S.A. All rights reserved.