[4-(nitrooxy)methyl]benzoic acid pentafluorophenyl ester | 874446-96-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: [4-(nitrooxy)methyl]benzoic acid pentafluorophenyl ester
• 英文别名: 4-(nitrooxymethyl)benzoic acid pentafluorophenyl ester；4-nitrooxymethyl-benzoic acid pentafluorophenyl ester；pentafluorophenyl 4-nitrooxymethylbenzoate；Benzoic acid, 4-[(nitrooxy)methyl]-, pentafluorophenyl ester；(2,3,4,5,6-pentafluorophenyl) 4-(nitrooxymethyl)benzoate
• CAS: 874446-96-5
• 化学式: C₁₄H₆F₅NO₅
• 分子量: 363.197
• InChiKey: CEVHKUKYWJLAMM-UHFFFAOYSA-N

物化性质

• 沸点：
  479.0±45.0 °C(Predicted)
• 密度：
  1.583±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [4-(nitrooxy)methyl]benzoic acid pentafluorophenyl ester 在 potassium tert-butylate 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 3.17h， 生成 tert-butyl (2R,4R,5R)-2-[2,2-dimethyl-3-(4-nitro-oxymethylbenzoylamino)-3-oxopropyl]-4-[4-(2-methoxyethoxymethyl)phenyl]-5-[4-(3-methoxy-propyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl-methoxy]piperidine-1-carboxylate
  参考文献：
  名称：

  WO2008/17685

  摘要：

  公开号：

文献信息

• [EN] PROCESS FOR PREPARING NITROOXY ESTERS, NITROOXY THIOESTERS, NITROOXY CARBONATES AND NITROOXY THIOCARBONATES, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF<br/>[FR] PROCEDE DESTINE A LA PREPARATION D'ESTERS NITRO-OXY, DE THIOESTERS NITRO-OXY, DE CARBONATES NITRO-OXY ET DE THIOCARBONATES NITRO-OXY, PRODUITS INTERMEDIAIRES UTILES DANS CE PROCEDE ET LEUR PREPARATION
  申请人：NICOX SA

  公开号：WO2006008196A1

  公开（公告）日：2006-01-26

  The present invention relates to a process for preparing nitrooxy esters, nitrooxy thioesters, nitrooxy carbonates and nitrooxy thiocarbonates of compounds having at least a hydroxyl or thiol functional group, according to the following reaction scheme, (I), (II), (III). The invention also relates to intermediates useful in said process and to their preparation.

  本发明涉及一种制备具有至少一个羟基或硫醇官能团的化合物的硝基酯、硝基硫酯、硝基碳酸酯和硝基硫代碳酸酯的过程，根据以下反应方案(I)、(II)、(III)。该发明还涉及在该过程中有用的中间体及其制备方法。
• Nitrate esters of aminoalcohols
  申请人：Herold Peter

  公开号：US20090318432A1

  公开（公告）日：2009-12-24

  The application relates to novel nitrate ester derivatives of substituted aminoalcohols of the general formula (I), wherein R 1 , R 2 , R 3 , V, X, Y and Z 0 have the meanings explained in more detail in the description, to a process for their preparation and to the use of these compounds as therapeutics in cardiovascular diseases, in particular in high blood pressure and vascular and organ damage age accompanying high blood pressure.

  该申请涉及一种新型硝酸酯衍生物，其为通式（I）中的取代氨基醇衍生物，其中R1、R2、R3、V、X、Y和Z0的含义在说明中有更详细的解释，以及它们的制备方法和将这些化合物作为治疗剂用于心血管疾病，特别是高血压和伴随高血压的血管和器官损伤的用途。
• Process for Preparing Nitrooxy Esters, Nitrooxy Thioesters Nitrooxy Carbonates and Nitrooxy Thiocarbinates, Intermediates Useful in Said Process and Preparation Thereof
  申请人：Almirante Nicoletta

  公开号：US20070238882A1

  公开（公告）日：2007-10-11

  The present invention relates to a process for preparing nitrooxy esters, nitrooxy thioesters, nitrooxy carbonates and nitrooxy thiocarbonates of compounds having at least an hydroxyl or thiol functional group, according to the following reaction scheme The invention also relates to intermediates useful in said process and to their preparation.

  本发明涉及一种制备至少具有羟基或硫醇官能团的化合物的硝氧酯、硝氧硫酯、硝氧碳酸酯和硝氧硫代碳酸酯的过程，如下反应方案所示。本发明还涉及该过程中有用的中间体及其制备方法。
• NITRATE ESTERS OF PIPERIDINES
  申请人：Herold Peter

  公开号：US20090325947A1

  公开（公告）日：2009-12-31

  The application relates to novel nitrate ester derivatives of substituted piperidines of the general formula (I), wherein R 1 , R 2 , R 3 , X, Y and Z 0 , and m, n, p and q have the meanings explained in more detail in the description, a process for their preparation and the use of these compounds as a curative agent in cardiovascular diseases, in particular in high blood pressure and vascular and organ damage accompanying high blood pressure.

  该申请涉及一种新的硝酸酯衍生物，其为通式（I）中取代哌啶的衍生物，其中R1、R2、R3、X、Y和Z0，以及m、n、p和q的含义在说明中有更详细的解释，以及其制备方法和将这些化合物用作心血管疾病的治疗剂，特别是用于高血压和伴随高血压的血管和器官损伤。
• ENDOTHELIN RECEPTOR ANTAGONIST DERIVATIVES
  申请人：Almirante Nicoletta

  公开号：US20090263472A1

  公开（公告）日：2009-10-22

  Endothelin receptor antagonist nitroderivatives of general formula (I): having an improved pharmacological activity compared with their parent compounds. They can be employed for treating or preventing endothelial-related disorders, renal, pulmonary, cardiac and vascular diseases, and inflammatory processes.

  具有一般式（I）的内皮素受体拮抗剂硝基衍生物：与其母化合物相比，具有改善的药理活性。它们可用于治疗或预防内皮相关疾病、肾脏、肺、心脏和血管疾病以及炎症过程。