2-n-丙基-4-硝基乙酰苯胺 | 18279-23-7

• 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: 2-n-丙基-4-硝基乙酰苯胺
• 英文名称: N-(4-nitrophenyl)pentanamide
• 英文别名: n-Valeriansaeure-p-nitroanilid；4'-nitrovaleranilide；2-n-propyl-4-nitroacetanilide
• CAS: 18279-23-7
• 化学式: C₁₁H₁₄N₂O₃
• 分子量: 222.244
• InChiKey: KMHYURRGBJRGNW-UHFFFAOYSA-N

物化性质

• 沸点：
  424.6±28.0 °C(Predicted)
• 密度：
  1.208±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 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：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-n-丙基-4-硝基乙酰苯胺 在 钯 氯丁烷 作用下， 以 乙醇 为溶剂， 以to yield 9.0 g的产率得到N-(4-氨基苯基)戊酰胺
  参考文献：
  名称：

  N-(pyrimidinyl)-tricyclo[3(or 4).2.2.0.sup.2,4(or 5) ]-non (or

  摘要：

  本发明揭示了通过Diels-Alder缩合反应制备的三环二酰亚胺，该反应以环状二烯（如环庚三烯、环辛四烯等）和二烯丙酰类（如取代的N-苯基马来酰亚胺等）为原料，具有作为轻度镇静剂和抗惊厥剂的药物用途。还揭示了制备这种三环二酰亚胺的方法；含有这些化合物及其盐、酯和酰胺衍生物的药物组合物；以及通过给予这些化合物和组合物的方法进行治疗。

  公开号：

  US04006233A1
• 作为产物：
  描述：

  4-硝基苯胺 、 正戊酸 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 以69%的产率得到2-n-丙基-4-硝基乙酰苯胺
  参考文献：
  名称：

  Synthesis of Lactones via C–H Functionalization of Nonactivated C(sp³)–H Bonds

  摘要：

  An electron-deficient amide is utilized as a directing group to functionalize nonactivated C(sp(3))-H bonds through radical 1,5-hydrogen abstraction. The gamma-bromoamides formed are subsequently converted to gamma-lactones under mild conditions. The method described is not limited to tertiary and secondary positions but also allows functionalization of primary nonactivated sp(3)-hybridized positions in a one-pot sequence. In addition, the broad functional group tolerance renders this method suitable for the late-stage introduction of gamma-lactones into complex carbon frameworks.

  DOI：

  10.1021/acs.orglett.6b03371

文献信息

• Tricyclicdicarboximides
  申请人：Merck & Co., Inc.

  公开号：US04173646A1

  公开（公告）日：1979-11-06

  Tricyclicdicarboximides representatively prepared by the Diels-Alder condensation of a cyclic diene such as cycloheptatriene, cyclooctatetraene and the like with a dienophile such as substituted N-phenylmaleimide and the like are disclosed having pharmaceutical utility as minor tranquilizers and anti-convulsants. Also disclosed are processes for the preparation of such tricyclicdicarboximides; pharmaceutical compositions comprising such compounds and their salt; ester and amide or derivatives; and methods of treatment comprising administering such compounds and compositions.

  本发明揭示了通过Diels-Alder缩合反应制备的三环二羧酸亚胺，其中所述的环烯烃包括环庚二烯、环辛四烯等，所述的二烯丙基包括取代的N-苯基马来酰亚胺等。该类化合物具有作为轻度镇静剂和抗惊厥剂的药用价值。本发明还揭示了制备该三环二羧酸亚胺的方法；包括该化合物及其盐、酯和酰胺衍生物的制药组合物；以及包括给予该化合物和组合物的治疗方法。
• Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents
  申请人：——

  公开号：US20030207865A1

  公开（公告）日：2003-11-06

  This invention relates to 2-arylimino heterocycles, including 2-arylimino-1,3-thiazolidines, 2-arylimino-2,3,4,5-tetrahydro-1,3-thiazines, 2-arylimino-1,3-thiazolidin-4-ones, 2-arylimino-1,3-thiazolidin-5-ones, and 2-arylimino-1,3-oxazolidines, and their use in modulating progesterone receptor mediated processes, and pharmaceutical compositions for use in such therapies.

  本发明涉及2-芳基亚胺杂环，包括2-芳基亚胺-1,3-噻唑啉，2-芳基亚胺-2,3,4,5-四氢-1,3-噻嗪，2-芳基亚胺-1,3-噻唑啉-4-酮，2-芳基亚胺-1,3-噻唑啉-5-酮和2-芳基亚胺-1,3-噁唑啉，以及它们在调节孕激素受体介导的过程中的应用，以及用于这种治疗的制药组合物。
• N-(Benzoxazolinyl-2-one)-tricyclic dicarboximides
  申请人：Merck & Co., Inc.

  公开号：US04132799A1

  公开（公告）日：1979-01-02

  Tricyclicdicarboximides representatively prepared by the Diels-Alder condensation of a cyclic diene such as cycloheptatriene, cyclooctatetraene and the like with a dienophile such as substituted N-phenylmaleimide and the like are disclosed having pharmaceutical utility as minor tranquilizers and anti-convulsants. Also disclosed are processes for the preparation of such tricyclicdicarboximides; pharmaceutical compositions comprising such compounds and their salt, ester and amide derivatives; and methods of treatment comprising administering such compounds and compositions.

  本发明揭示了通过Diels-Alder缩合反应制备的三环二羧酰亚胺类化合物，如环庚三烯、环辛四烯等环状二烯与取代的N-苯基马来酰亚胺等二烯基体反应制备而成，具有作为轻度镇静剂和抗惊厥剂的药用价值。还揭示了制备此类三环二羧酰亚胺化合物的方法；包括此类化合物及其盐、酯和酰胺衍生物的药物组合物；以及包括使用此类化合物和组合物的治疗方法。
• Lewis Base–Boryl Radicals Enabled the Desulfurizative Reduction and Annulation of Thioamides
  作者：You-Jie Yu、Feng-Lian Zhang、Jie Cheng、Jing-Hao Hei、Wei-Ting Deng、Yi-Feng Wang

  DOI：10.1021/acs.orglett.7b03201

  日期：2018.1.5

  A new protocol for radical transformations of thioamides promoted by Lewis base-boryl radicals is reported. The desulfurizative reduction to access organic amines was enabled utilizing 4-dimethylaminopyridine-BH3 as the boryl radical precursor and PhSH as the polarity reversal catalyst. Alternatively, the chain process for unsaturated thioamides was switched to an annulation reaction using N-heterocyclic carbene BH3 as the boryl radical precursor and sterically bulky Ph3CSH as the catalyst, allowing for the construction of N-heterocyclic and carbocyclic skeletons.
• SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS
  申请人：Bayer Corporation

  公开号：EP1144396A2

  公开（公告）日：2001-10-17