2-(1,1-dimethyl-2-hydroxyethyl)aminonitrobenzene | 121049-79-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(1,1-dimethyl-2-hydroxyethyl)aminonitrobenzene
• 英文别名: N-(1-Hydroxy-2-methylprop-2-yl)-2-nitroaniline；2-methyl-2-(2-nitro-anilino)-propan-1-ol；2-methyl-2-(2-nitroanilino)propan-1-ol
• CAS: 121049-79-4
• 化学式: C₁₀H₁₄N₂O₃
• 分子量: 210.233
• InChiKey: JKMKBZRTSXBECV-UHFFFAOYSA-N

物化性质

• 沸点：
  150-160 °C(Press: 1-2 Torr)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  78.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(1,1-dimethyl-2-hydroxyethyl)aminonitrobenzene 在 palladium on activated charcoal bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 氢气 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline
  参考文献：
  名称：

  Preparation of substituted 1,2,3,4-tetrahydroquinoxalines and 2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepines from catalytic Cp∗Ir hydrogen transfer N-heterocyclization of anilino alcohols

  摘要：

  The [Cp*IrCl2](2)/K2CO3 catalyzed hydrogen transfer N-heterocyclization on a series of anilino alcohols has been investigated. The catalyst (20% loading) converts anilino alcohols to 1,2,3,4-tetrahydroquinoxalines and 2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepines in 30-84% isolated yield. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2006.07.033
• 作为产物：
  描述：

  1-氟-2-硝基苯 在 锂硼氢 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(1,1-dimethyl-2-hydroxyethyl)aminonitrobenzene
  参考文献：
  名称：

  Preparation of substituted 1,2,3,4-tetrahydroquinoxalines and 2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepines from catalytic Cp∗Ir hydrogen transfer N-heterocyclization of anilino alcohols

  摘要：

  The [Cp*IrCl2](2)/K2CO3 catalyzed hydrogen transfer N-heterocyclization on a series of anilino alcohols has been investigated. The catalyst (20% loading) converts anilino alcohols to 1,2,3,4-tetrahydroquinoxalines and 2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepines in 30-84% isolated yield. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2006.07.033

文献信息

• Fused 1,4-dihydropyridines as antiallergy and antiinflammatory agents
  申请人：Pfizer Inc.

  公开号：US04853392A1

  公开（公告）日：1989-08-01

  Compounds of the formula ##STR1## where R.sup.1 is lower alkyl, R.sup.2 is chlorophenyl, Y is alkylene, X is heterocyclic and Z is a fused ring are useful as antiinflammatory and antiallergy agents.

  式为##STR1##的化合物，其中R.sup.1为低碳烷基，R.sup.2为氯苯基，Y为烷基，X为杂环，Z为融合环，可用作抗炎和抗过敏剂。
• Certain oxo-pyrrolo 1,4-dihydropyridines as antiallergy and
  申请人：Pfizer Inc.

  公开号：US04992447A1

  公开（公告）日：1991-02-12

  Compounds of the formula ##STR1## where R.sup.1 is lower alkyl, R.sup.2 is chlorophenyl, Y is alkylene, X is heterocyclic and Z is a fused ring are useful as antiinflammatory and antiallergy agents.

  式子为##STR1##的化合物，其中R.sup.1为低碳基，R.sup.2为氯苯基，Y为烷基，X为杂环基，Z为融合环基，可用作抗炎和抗过敏剂。
• Dihydropyridine anti-allergic and anti-inflammatory agents
  申请人：Pfizer Inc.

  公开号：US04801598A1

  公开（公告）日：1989-01-31

  Compounds of the formula: ##STR1## where R is 2-substituted phenyl said substituent being chloro, bromo, cyano, methyl, methylthio, methylsulfonyl, trifluoromethyl, hydroxy, methoxy or benzyloxy; R.sup.1 is hydrogen, lower alkyl, pyridyl, thiazolyl, isoxazolyl, thiadiazdyl or thiazdylmethyl; R.sup.2 is hydrogen or lower alkyl; R.sup.3 is hydroxy, lower alkoxy, benzyloxy, amino, lower alkylamino or morpholino; Y is alkylene having two to six carbon atoms; and X is benzimidazolyl optionally substituted by lower alkyl, chloro or trifluoromethyl.

  式子为：##STR1## 其中R为2-取代苯基，其取代基为氯、溴、氰、甲基、甲硫基、甲磺酰基、三氟甲基、羟基、甲氧基或苄氧基；R.sup.1为氢、低碳基、吡啶基、噻唑基、异恶唑基、噻二唑基甲基；R.sup.2为氢或低碳基；R.sup.3为羟基、低碳氧基、苄氧基、氨基、低碳基氨基或吗啡基；Y为具有2至6个碳原子的烷基；X为苯并咪唑基，可选择性地取代为低碳基、氯或三氟甲基。
• Therapeutic agents
  申请人：Pfizer Limited

  公开号：EP0299727B1

  公开（公告）日：1991-11-13
• Some N-Basically Substituted Derivatives of o-Nitroaniline
  作者：Alfred Burger、James M. Fredericksen

  DOI：10.1021/ja01181a506

  日期：1948.1