N-[2-(4-甲氧基-3-硝基-苯基)乙基]乙酰胺 | 212828-83-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-[2-(4-甲氧基-3-硝基-苯基)乙基]乙酰胺
• 英文名称: N-[(3-nitro-4-methoxyphenyl)ethyl]acetamide
• 英文别名: N-(4-Methoxy-3-nitrophenethyl)acetamide；N-[2-(4-methoxy-3-nitrophenyl)ethyl]acetamide
• CAS: 212828-83-6
• 化学式: C₁₁H₁₄N₂O₄
• 分子量: 238.243
• InChiKey: FJIBKEWCYAZCLW-UHFFFAOYSA-N

物化性质

• 熔点：
  88-89 °C(Solv: ethyl acetate (141-78-6))
• 沸点：
  482.0±35.0 °C(Predicted)
• 密度：
  1.209±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[2-(4-甲氧基-3-硝基-苯基)乙基]乙酰胺 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 甲烷磺酸 、 copper(II) choride dihydrate 、 palladium on activated charcoal 、 氢溴酸 、 氢气 、 sodium methylate 、 溶剂黄146 、 copper(l) chloride 、 sodium hydroxide 、 sodium nitrite 作用下， 以 甲醇 、 乙醇 、 水 、 异丙醇 为溶剂， 125.0 ℃ 、300.01 kPa 条件下， 反应 31.0h， 生成 7-(2-aminoethyl)-4-hydroxy-1,3-benzothiazol-2(3H)-one hydrochloride
  参考文献：
  名称：

  Development of a Manufacturing Process for Sibenadet Hydrochloride, the Active Ingredient of Viozan

  摘要：

  A process for commercial manufacture of the dual D-2-beta(2) receptor agonist sibenadet hydrochloride has been developed. The process relies upon introduction of operationally simple chemistry at the final stages where two key intermediates are reacted to assemble the final molecule, isolated by crystallization. A nine-stage sequence for synthesis of the key amine hydrochloride intermediate was developed, and modifications to the original process are described. Major strategic improvements were made in definition of the final route to the "side chain" precursor molecule, the second key intermediate, hinging around a thiyl radical addition and subsequent high-yielding telescoped processes for synthesis of this highly crystalline benzoate ester. Development of these chemistries is discussed, together with some issues surrounding definition of the final validated commercial processes.

  DOI：

  10.1021/op049953y
• 作为产物：
  描述：

  2-(4-甲氧苯基)乙胺 在 硫酸 、 硝酸 、 乙酸酐 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 18.0h， 生成 N-[2-(4-甲氧基-3-硝基-苯基)乙基]乙酰胺
  参考文献：
  名称：

  Development of a Manufacturing Process for Sibenadet Hydrochloride, the Active Ingredient of Viozan

  摘要：

  A process for commercial manufacture of the dual D-2-beta(2) receptor agonist sibenadet hydrochloride has been developed. The process relies upon introduction of operationally simple chemistry at the final stages where two key intermediates are reacted to assemble the final molecule, isolated by crystallization. A nine-stage sequence for synthesis of the key amine hydrochloride intermediate was developed, and modifications to the original process are described. Major strategic improvements were made in definition of the final route to the "side chain" precursor molecule, the second key intermediate, hinging around a thiyl radical addition and subsequent high-yielding telescoped processes for synthesis of this highly crystalline benzoate ester. Development of these chemistries is discussed, together with some issues surrounding definition of the final validated commercial processes.

  DOI：

  10.1021/op049953y

文献信息

• Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups
  申请人：Shakhnovich Alexander I.

  公开号：US20070179213A1

  公开（公告）日：2007-08-02

  The present invention relates to an inkjet ink composition comprising a liquid vehicle, a pigment, and a polymeric dispersant. In one embodiment, the pigment comprises a colorant having the formula A-(B) x or is a carbon black pigment and the polymeric dispersant comprises a polymeric group and at least one group having the formula -A′-(B) y (C) z , wherein A and A′ are organic chromophore groups. In a second embodiment, the polymeric dispersant comprises a polymeric group and an organic chromophore group capable of interacting with the pigment.

  本发明涉及一种喷墨墨水组合物，其包括液体载体、颜料和聚合物分散剂。在一种实施例中，颜料包括具有A-(B)x式的色料，或者是碳黑颜料，聚合物分散剂包括聚合物基团和至少一个具有-A'-(B)y(C)z式的基团，其中A和A'是有机色团基团。在第二种实施例中，聚合物分散剂包括聚合物基团和能够与颜料相互作用的有机色团基团。
• Inkjet Ink Compositions Comprising Polymeric Dispersants Having Attached Chromophore Groups
  申请人：Shakhnovich Alexander I.

  公开号：US20110207860A1

  公开（公告）日：2011-08-25

  The present invention relates to an inkjet ink composition comprising a liquid vehicle, a pigment, and a polymeric dispersant. In one embodiment, the pigment comprises a colorant having the formula A-(B) x or is a carbon black pigment and the polymeric dispersant comprises a polymeric group and at least one group having the formula -A′-(B) y (C) z , wherein A and A′ are organic chromophore groups. In a second embodiment, the polymeric dispersant comprises a polymeric group and an organic chromophore group capable of interacting with the pigment.

  本发明涉及一种喷墨墨水组合物，包括液体载体、颜料和聚合物分散剂。在一种实施例中，颜料包括具有A-(B)x公式的着色剂，或者是碳黑颜料，聚合物分散剂包括聚合物基团和至少一个具有-A′-(B)y(C)z公式的基团，其中A和A′是有机色团基团。在第二种实施例中，聚合物分散剂包括聚合物基团和能够与颜料相互作用的有机色团基团。
• EP1981943A1
  申请人：——

  公开号：EP1981943A1

  公开（公告）日：2008-10-22
• US7947761B2
  申请人：——

  公开号：US7947761B2

  公开（公告）日：2011-05-24
• [EN] INKJET INK COMPOSITIONS COMPRISING POLYMERIC DISPERSANTS HAVING ATTACHED CHROMOPHORE GROUPS<br/>[FR] COMPOSITIONS D'ENCRE A JET D'ENCRE COMPRENANT DES DISPERSANTS POLYMERES A GROUPES CHROMOPHORES LIES
  申请人：CABOT CORP

  公开号：WO2007089859A1

  公开（公告）日：2007-08-09

  [EN] The present invention relates to an inkjet ink composition comprising a liquid vehicle, a pigment, and a polymeric dispersant. In one embodiment, the pigment comprises a colorant having the formula A-(B)_x or is a carbon black pigment and the polymeric dispersant comprises a polymeric, group and at least one group having the formula - A'-(B)_y(C)_z, wherein A and A' are organic chromophore groups. In a second embodiment, the polymeric dispersant comprises a polymeric group and an organic chromophore group capable of interacting with the pigment.
  [FR] La présente invention concerne une composition d'encre à jet d'encre comprenant un véhicule liquide, un pigment et un dispersant polymère. Dans un mode de réalisation, le pigment comprend un colorant ayant la formule A-(B)_x ou est un pigment noir de carbone, et le dispersant polymère comprend un groupe polymère et au moins un groupe ayant la formule - A'-(B)_y(C)_z, où A et A' sont des groupes chromophores organiques. Dans un second mode de réalisation, le dispersant polymère comprend un groupe polymère et un groupe chromophore organique pouvant interagir avec le pigment.