2-甲基-5-硝基苯甲酮 | 39272-00-9

• 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-甲基-5-硝基苯甲酮
• 中文别名: (2-甲基-5-硝基苯基)(苯基)甲酮
• 英文名称: (2-methyl-5-nitrophenyl)phenylmethanone
• 英文别名: 2-methyl-5-nitro-benzophenone；2-Methyl-5-nitro-benzophenon；2-Methyl-5-nitrobenzophenone；(2-methyl-5-nitrophenyl)-phenylmethanone
• CAS: 39272-00-9
• 化学式: C₁₄H₁₁NO₃
• 分子量: 241.246
• InChiKey: MUUCOWULQJLJNZ-UHFFFAOYSA-N

物化性质

• 熔点：
  72-73°C
• 沸点：
  376.7±30.0 °C(Predicted)
• 密度：
  1.232±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿、乙醚、乙酸乙酯

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  2-甲基-5-硝基苯甲酮 在 硝酸 作用下， 生成 2-苯甲酰基-4-硝基苯甲酸
  参考文献：
  名称：

  第八章集体行动亚硝酸根的形成

  摘要：

  DOI：

  10.1002/hlca.19440270139
• 作为产物：
  描述：

  2-甲基-5-硝基苯甲酸 在 三氯化铝 、 氯化亚砜 作用下， 反应 2.0h， 生成 2-甲基-5-硝基苯甲酮
  参考文献：
  名称：

  Imidazolylmethylbenzophenones as Highly Potent Aromatase Inhibitors

  摘要：

  Suppression of tumor and plasma estrogen levels by inhibition of aromatase is one of the most effective treatments for postmenopausal breast cancer patients. Starting from an easy, synthetically accessible, benzophenone scaffold, a new class of potent aromatase inhibitors was synthesized, endowed with high selectivity with respect to 17 alpha-hydroxylase/17,20-lyase (CYP17). Compounds 1b and 1d proved to be among the most potent inhibitors described so far.

  DOI：

  10.1021/jm0702938

文献信息

• Bouzard,D. et al., Bulletin de la Societe Chimique de France, 1972, p. 3375 - 3384
  作者：Bouzard,D. et al.

  DOI：——

  日期：——
• Sur l'aptitude réactionnelle du groupement méthylique II. Dérivés de la benzophénone et du benzile
  作者：Louis Chardonnens、Josef Venetz

  DOI：10.1002/hlca.193902201107

  日期：——
• Reactivity of Methyl Groups in Some Derivatives of m-Xylene and Toluene
  作者：Louis Chardonnens、William J. Kramer

  DOI：10.1021/ja01575a035

  日期：1957.9
• CONTINUOUS ADMINISTRATION OF PHARMACEUTICAL COMPOSITION FOR TREATMENT OF NEURODEGENERATIVE DISORDERS
  申请人：LobSor Pharmaceuticals Aktiebolag

  公开号：EP3768263A1

  公开（公告）日：2021-01-27
• [EN] METHOD FOR TREATING PARKINSON'S DISEASE<br/>[FR] MÉTHODE DE TRAITEMENT DE LA MALADIE DE PARKINSON
  申请人：ORION CORP

  公开号：WO2011107653A2

  公开（公告）日：2011-09-09

  The present disclosure provides a method for the treatment of Parkinson's disease comprising simultaneously or sequentially administering to a patient in need of treatment of Parkinson's disease a dosage form comprising (i) levodopa in an amount ranging from 50 mg to 300 mg, (ii) carbidopa in an amount ranging from 25 mg to 150 mg or a therapeutically equivalent amount of another aromatic amino acid decarboxylase inhibitor, and (iii) entacapone in an amount ranging from 50 mg to 300 mg, wherein the proportion of entacapone to carbidopa in said dosage form ranges from 0.3:1.0 to 3.2:1.0 by weight, a moderately potent COMT inhibitor in an amount ranging from 25 mg to 200 mg, wherein the proportion of said COMT inhibitor to carbidopa in said dosage form ranges from 0.16:1.0 to 3.08:1.0 by weight, or a highly potent COMT inhibitor in an amount ranging from 1 mg to 100 mg, wherein the proportion of said COMT inhibitor to carbidopa in said dosage form ranges from 0.006:1.0 to 1.54:1.0 by weight. Pharmaceutical dosage form used in said method are also disclosed.