4-(4-methoxy-2,5-dimethylphenyl)-4-oxobutanoic acid | 4773-88-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(4-methoxy-2,5-dimethylphenyl)-4-oxobutanoic acid
• 英文别名: 4-(4-methoxy-2,5-dimethyl-phenyl)-4-oxo-butyric acid；4-(4-Methoxy-2,5-dimethyl-phenyl)-4-oxo-buttersaeure；β-(4-Methoxy-2.5-dimethyl-benzoyl)-propionsaeure；4-<4-Methoxy-2,5-dimethyl-phenyl>-4-oxo-buttersaeure
• CAS: 4773-88-0
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: PIIITSKFNJDVGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  4-(4-methoxy-2,5-dimethylphenyl)-4-oxobutanoic acid 在 盐酸 、 mercury dichloride 、 锌 作用下， 以 水 、 甲苯 为溶剂， 以92%的产率得到4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
  参考文献：
  名称：

  设计，构象和晶体学的2-萘苯基苯基醚作为有效的抗艾滋病毒剂

  摘要：

  据报道，掺有7-氰基-2-萘基取代基的邻苯二酚二醚是HIV-1逆转录酶（NNRTIs）的非核苷抑制剂。许多化合物对野生型HIV-1的效价为1-10 nM。一个有趣的构象效应使得与HIV-RT形成复合物的萘基具有两个独特的构象体。4a和4f的X射线晶体结构说明了替代方案。

  DOI：

  10.1021/acsmedchemlett.6b00390
• 作为产物：
  描述：

  2,5-二甲基苯酚 在 三氯化铝 、 苯 作用下， 生成 4-(4-methoxy-2,5-dimethylphenyl)-4-oxobutanoic acid
  参考文献：
  名称：

  A patient with type I CD36 deficiency whose myocardium accumulated123I-BMIPP after 4 years

  摘要：

  A 73-year-old man with aortic regurgitation was examined by I-123-alpha -methyl-p-iodophenylpentadecanoic acid (BMIPP) myocardial single photon emission computed tomography (SPECT) in 1995. Myocardial accumulation was not evident on either the early or the delayed image obtained 15 minutes and 3 hours, respectively, after injecting I-123-BMIPP. Flow cytometric analysis of CD36 expression in monocytes and platelets identified a type I CD36 deficiency. The patient was hospitalized for severe heart failure in 1999. Upon admission, the cardiothoracic ratio on chest Xrays was 73%, and the left ventricular end-diastolic diameter on echocardiograms was enlarged to 77 mm. On the second day, we performed I-123-BMIPP myocardial SPECT. Myocardial accumulation was evident in the delayed, but not in the early image. We repeated I-123-BMIPP myocardial SPECT on the 10th day after admission. Myocardial accumulation was evident on both early and delayed images. Tc-99m-tetrofosmin myocardial SPECT was immediately performed after I-123-BMIPP myocardial SPECT to distinguish myocardial from pooling images in the left ventricle, but, because the images from both 99mTc-tetrofosmin and I-123-BMIPP myocardial SPECT were idential, we considered that the 123I-BMIPP myocardial SPECT images reflected the actual myocardial condition.The CD36 molecule transports long-chain fatty acid (LCFA) on the myocardial membrane, but I-123-BMIPP scintigraphy does not show any myocardial accumulation in patients with type I CD36 deficiency, indicating that myocardial LCFA uptake occurs through CD36 on the human myocardial membrane. Even though our patient had type I CD36 deficiency, BMIPP was uptaken by the myocardium during heart failure, suggesting a variant pathway on the human myocardial membrane for LCFA uptake.

  DOI：

  10.1007/bf02987845

文献信息

• A Modification of the Clemmensen Method of Reduction¹
  作者：Elmore L. Martin

  DOI：10.1021/ja01299a038

  日期：1936.8
• An Investigation of the Mills-Nixon Effect
  作者：Louis F. Fieser、Warren C. Lothrop

  DOI：10.1021/ja01301a066

  日期：1936.10
• CXL.—The constitution of santonin. Part II. The synthesis of racemic desmotroposantonin
  作者：George Roger Clemo、Robert Downs Haworth、Eric Walton

  DOI：10.1039/jr9300001110

  日期：——
• Ashok, K.; Rao, G.S. Krishna, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1993, vol. 32, # 10, p. 1013 - 1017
  作者：Ashok, K.、Rao, G.S. Krishna

  DOI：——

  日期：——
• Fetizon,M.; Nguyen Trong Anh, Bulletin de la Societe Chimique de France, 1965, p. 3208 - 3210
  作者：Fetizon,M.、Nguyen Trong Anh

  DOI：——

  日期：——