dimethyl-2-acetamido-5-nitroterephthalate | 177284-13-8

• 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: dimethyl-2-acetamido-5-nitroterephthalate
• 英文别名: 2-acetylamino-5-nitro-terephthalic acid dimethyl ester；2-Acetylamino-5-nitro-terephthalsaeure-dimethylester；5-Nitro-2-acetamino-terephthalsaeure-dimethylester；Dimethyl 2-acetamido-5-nitrobenzene-1,4-dicarboxylate
• CAS: 177284-13-8
• 化学式: C₁₂H₁₂N₂O₇
• 分子量: 296.236
• InChiKey: FVRYFMFWFRNCHO-UHFFFAOYSA-N

物化性质

• 沸点：
  518.7±50.0 °C(Predicted)
• 密度：
  1.409±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  128
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  dimethyl-2-acetamido-5-nitroterephthalate 在 溶剂黄146 、 锌 作用下， 生成 dimethyl 2-acetamido-5-aminoterephthalate
  参考文献：
  名称：

  Kauffmann; Weissel, Justus Liebigs Annalen der Chemie, 1912, vol. 393, p. 25

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基对苯二甲酸二甲酯 在 硫酸 、 硝酸 作用下， 以 甲苯 为溶剂， 反应 14.0h， 生成 dimethyl-2-acetamido-5-nitroterephthalate
  参考文献：
  名称：

  一种含喹唑啉二酮的化合物及其制备方法和应用

  摘要：

  本发明涉及农药新化合物技术领域，公开了一种含喹唑啉二酮的化合物及其制备方法和应用，该化合物具有式(I)所示的结构。本发明提供的含有喹唑啉二酮结构的化合物具有优异的除草活性，对水稻、小麦等大宗作物以及一些重要的经济作物中的杂草，特别是抗性杂草具有优异的除草活性，并且对非靶标作物具有良好的安全性。#imgabs0#

  公开号：

  CN117024359A

文献信息

• Aromatic Substituent Effects on the Flexibility of Metal–Organic Frameworks
  作者：Hyungwoo Hahm、Kwangho Yoo、Hyeonbin Ha、Min Kim

  DOI：10.1021/acs.inorgchem.6b00983

  日期：2016.8.1

  The flexibility (or breathing behavior) of zinc-based metal–organic frameworks (MOFs) has been manipulated by regioisomeric and positional control of organic functionalities. Ten new regioisomeric BDC (ortho- or para-disubstituted benzene-1,4-dicarboxylic acid) ligands have been synthesized and applied to a DMOF (dabco MOF) system, which has a zinc(II) paddle-wheel SBU (secondary building unit). Among

  锌基金属-有机骨架（MOF）的柔韧性（或呼吸行为）已通过区域异构和位置控制有机功能得到控制。已经合成了十个新的区域异构BDC（邻或对二取代苯-1,4-二羧酸）配体，并将其应用于DMOF（dabco MOF）系统，该系统具有锌（II）桨轮SBU（二级建筑单元） ）。在新的区域异构MOF中，NH 2 -OMe组合通过简单地改变官能团的位置（从2,3到2,5）而显示出显着的灵活性（呼吸行为）变化。苯环的电子密度被认为是区域异构MOF系统柔韧性变化的主要因素。
• 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES
  申请人：Mueller Rudolf

  公开号：US20100267728A1

  公开（公告）日：2010-10-21

  This invention relates to compounds, pharmaceutical compositions and methods for use in the prevention and treatment of cerebral insufficiency, including enhancement of receptor functioning in synapses in brain networks responsible for basic and higher order behaviors. These brain networks, which are involved in regulation of breathing, and cognitive abilities related to memory impairment, such as is observed in a variety of dementias, in imbalances in neuronal activity between different brain regions, as is suggested in disorders such as Parkinson's disease, schizophrenia, respiratory depression, sleep apneas, attention deficit hyperactivity disorder and affective or mood disorders, and in disorders wherein a deficiency in neurotrophic factors is implicated, as well as in disorders of respiration such as overdose of an alcohol, an opiate, an opioid, a barbiturate, an anesthetic, or a nerve toxin, or where the respiratory depression results form a medical condition such as central sleep apnea, stroke-induced central sleep apnea, obstructive sleep apnea, congenital hypoventilation syndrome, obesity hypoventilation syndrome, sudden infant death syndrome, Rett syndrome, spinal cord injury, traumatic brain injury, Cheney-Stokes respiration, Ondines curse, Prader-Willi's syndrome and drowning. In a particular aspect, the invention relates to compounds useful for treatment of such conditions, and methods of using these compounds for such treatment.

  本发明涉及化合物、药物组合物和方法，用于预防和治疗脑血液不足，包括增强大脑网络中负责基本和高级行为的突触中受体功能。这些大脑网络参与调节呼吸和认知能力，与记忆障碍相关，如多种痴呆症观察到的那样，以及在不同大脑区域之间的神经活动失衡中，如帕金森病、精神分裂症、呼吸抑制、睡眠呼吸暂停、注意力缺陷多动障碍和情感或情绪障碍中，以及神经营养因子缺乏有关的疾病，以及呼吸方面的疾病，如酒精、鸦片、阿片、巴比妥酸盐、麻醉剂或神经毒素过量，或呼吸抑制是由中枢性睡眠呼吸暂停、中风引起的中枢性睡眠呼吸暂停、阻塞性睡眠呼吸暂停、先天性低通气综合征、肥胖性低通气综合征、婴儿猝死综合征、雷特综合征、脊髓损伤、创伤性脑损伤、切尼-斯托克斯呼吸、温迪恩氏诅咒、普拉德-威利综合征和溺水等医学情况引起的。在特定方面，本发明涉及用于治疗此类疾病的化合物以及使用这些化合物进行此类治疗的方法。
• 一种含喹唑啉二酮的化合物及其制备方法和应用
  申请人：山东先达农化股份有限公司

  公开号：CN117024359A

  公开（公告）日：2023-11-10

  本发明涉及农药新化合物技术领域，公开了一种含喹唑啉二酮的化合物及其制备方法和应用，该化合物具有式(I)所示的结构。本发明提供的含有喹唑啉二酮结构的化合物具有优异的除草活性，对水稻、小麦等大宗作物以及一些重要的经济作物中的杂草，特别是抗性杂草具有优异的除草活性，并且对非靶标作物具有良好的安全性。#imgabs0#
• Kauffmann; Weissel, Justus Liebigs Annalen der Chemie, 1912, vol. 393, p. 25
  作者：Kauffmann、Weissel

  DOI：——

  日期：——
• A combined experimental and TD-DFT investigation of three disperse azo dyes having the nitroterephthalate skeleton
  作者：Mininath S. Deshmukh、Nagaiyan Sekar

  DOI：10.1016/j.dyepig.2013.10.035

  日期：2014.4

  Three disperse azo dyes were synthesized using diazotized dimethyl 2-amino-5-nitroterephthalate (5) followed by the diazo coupling with different N-substituted aromatic amines. The structures of the dyes were confirmed using FT-IR, H-1 NMR, C-13 NMR, MS and HRMS spectral analysis. The geometries of the azo and hydrazone tautomeric forms of the dyes were optimized at B3LYP/6-31G(d) level of theory, and their electronic excitation properties were evaluated using density functional theory. The computed absorption spectral data of the azo derivatives are in good agreement with the experiment, thus allowing an assignment of the UV-vis spectra. The dyes displayed a broad absorption maximum in the visible region between 498 and 561 nm. The synthesized azo disperse dyes were applied on polyester and nylon fiber and they show very good light fastness and washing fastness properties. (C) 2013 Elsevier Ltd. All rights reserved.