2,5-二甲基-4-硝基乙酰苯胺 | 6954-69-4

• 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: 2,5-二甲基-4-硝基乙酰苯胺
• 中文别名: N-(2,5-二甲基-4-硝基苯基)乙酰胺
• 英文名称: N-(2,5-dimethyl-4-nitrophenyl)acetamide
• 英文别名: 2,5-dimethyl-4-nitroacetanilide；acetic acid-(2,5-dimethyl-4-nitro-anilide)；Essigsaeure-(2,5-dimethyl-4-nitro-anilid)；Essigsaeure-(4-nitro-2.5-dimethyl-anilin)；5-Nitro-2-acetamino-p-xylol；2,5-Dimethyl-4-nitro-acetanilid
• CAS: 6954-69-4
• 化学式: C₁₀H₁₂N₂O₃
• 分子量: 208.217
• InChiKey: IPRXWEPMOALPTO-UHFFFAOYSA-N

物化性质

• 熔点：
  171-171.5℃ (benzene chloroform )

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  2,5-二甲基-4-硝基乙酰苯胺 在 氢氧化钾 、 乙醇 、 硫酸 、 铂 作用下， 生成 2,5,2',5'-tetramethyl-1,1'-(2,5-dimethyl-p-phenylene)-bis-pyrrole-3-carboxylic acid
  参考文献：
  名称：

  Stereochemistry of Diphenyls. XXXVI. Preparation and Resolution of Certain Substituted Dipyrrylbenzenes¹

  摘要：

  DOI：

  10.1021/ja01325a026
• 作为产物：
  描述：

  2,5-二甲基乙酰苯胺 在 sodium nitrite 作用下， 以 三氟乙酸 为溶剂， 生成 2,5-二甲基-4-硝基乙酰苯胺
  参考文献：
  名称：

  Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents

  摘要：

  这项发明涉及2-芳基亚胺杂环化合物，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，以及用于这类治疗的药物组合物。

  公开号：

  US06353006B1

文献信息

• Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents
  申请人：Bayer Corporation

  公开号：US06353006B1

  公开（公告）日：2002-03-05

  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.

  这项发明涉及2-芳基亚胺杂环化合物，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，以及用于这类治疗的药物组合物。
• Ortho-selective nitration of acetanilides with nitrogen dioxide in the presence of ozone
  作者：Hitomi Suzuki、Taro Ishibashi、Takashi Murashima、Kenkichi Tsukamoto

  DOI：10.1016/0040-4039(91)80229-y

  日期：1991.11

  In the presence of ozone, nitrogen dioxide rapidly reacts with acetanilides ortho-selectively at low temperatures, giving a high proportion of ortho-nitro derivatives in good yields.

  在臭氧的存在下，二氧化氮在低温下与邻苯二甲酰胺快速进行邻位选择性反应，从而以高收率得到高比例的邻硝基衍生物。
• Process for the preparation of p-nitroaniline compounds by the alkaline
  申请人：Eastman Kodak Company

  公开号：US04151203A1

  公开（公告）日：1979-04-24

  Process for the preparation of certain substituted p-nitroaniline compounds essentially free of the corresponding o-nitroaniline compounds. The process comprises subjecting an alkanol solution of the anilides of such compounds to alkaline hydrolysis conditions, thereby effecting hydrolysis and precipitation of the p-nitroaniline compound essentially free of the undesired o-isomer. The compounds are intermediates useful in the preparation of azo pigments.

  制备某些替代的对硝基苯胺化合物的过程，基本上不含相应的邻硝基苯胺化合物。该过程包括将这些化合物的苯胺酰胺的烷醇溶液置于碱性水解条件下，从而使对硝基苯胺化合物水解并沉淀，基本上不含不需要的邻异构体。这些化合物是制备偶氮颜料时有用的中间体。
• Suzuki, Hitomi; Tatsumi, Atsuo; Ishibashi, Taro, Journal of the Chemical Society. Perkin transactions I, 1995, # 4, p. 339 - 344
  作者：Suzuki, Hitomi、Tatsumi, Atsuo、Ishibashi, Taro、Mori, Tadashi

  DOI：——

  日期：——
• Variable Noninnocence of Substituted Azobis(phenylcyanamido)diruthenium Complexes
  作者：Mohommad M. R. Choudhuri、Mahdi Behzad、Mousa Al-Noaimi、Glenn P. A. Yap、Wolfgang Kaim、Biprajit Sarkar、Robert J. Crutchley

  DOI：10.1021/ic502487x

  日期：2015.2.16

  The synthetic chemistry of substituted 4,4'-azobis(phenylcyanamide) ligands was investigated, and the complexes [Ru(tpy)(bpy)}(2)(mu-L)][PF6](2), where L = 2,2':5,5'-tetramethyl-4,4'-azobis(phenylcyanamido) (Me4adpc(2)), 2,2'-dimethyl-4,4'-azobis(phenylcyanamido) (Me(2)adpc(2)), unsubstituted (adpc2), 3,3'-dichloro-4,4'-azobis(phenylcyanamido) (Cl(2)adpc(2)), and 2,2':5,5'-tetrachloro-4,4'-azobis(phenylcyanamido) (Cl(4)adpc(2)), were prepared and characterized by cyclic voltammetry and visnear-IR (NIR) and IR spectroelectrochemistry. The room temperature electron paramagnetic resonance spectrum of [Ru(tpy)(bpy)}(2)(mu-Me(4)adpc)](3+) showed an organic radical signal and is consistent with an oxidation-state description [Ru-II, Me(4)adpc, Ru-II](3+), while that of [Ru(tpy)(bpy)}(2)(mu-Cl(2)adpc)](3+) at 10 K showed a low-symmetry Ru-III signal, which is consistent with the description [Ru-III, Cl(2)adpc(2), Ru-II](3+). IR spectroelectrochemistry data suggest that [Ru(tpy)(bpy)}(2)(mu-adpc)](3+) is delocalized and [Ru(tpy)(bpy)}(2)(mu-Cl(2)adpc)](3+) and [Ru(tpy)(bpy)}(2)(mu-Cl(4)adpc)](3+) are valence-trapped mixed-valence systems. A NIR absorption band that is unique to all [Ru(tpy)(bpy)}(2)(mu-L)](3+) complexes is observed; however, its energy and intensity vary depending on the nature of the bridging ligand and, hence, the complexes oxidation-state description.