4-(4-methoxy-2,5-dimethylphenyl)butanoic acid | 4705-97-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
• 英文别名: 4-(4-methoxy-2,5-dimethyl-phenyl)-butyric acid；4-(4-Methoxy-2,5-dimethyl-phenyl)-buttersaeure；γ-(4-Methoxy-2.5-dimethyl-phenyl)-buttersaeure；4--buttersaeure
• CAS: 4705-97-9
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: XOBZQMGCZYSQEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

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)butanoic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 4-(4-Methoxy-2,5-dimethylphenyl)butanoyl chloride
  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 盐酸 、 三氯化铝 、 amalgamated zinc 、 苯 作用下， 生成 4-(4-methoxy-2,5-dimethylphenyl)butanoic 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

• Photochemical rearrangements of cross-conjugated cyclohexadienones—VII
  作者：P.J. Kropp

  DOI：10.1016/s0040-4020(01)98355-3

  日期：1965.1

  concerning its intermediacy in the previously reported rearrangement of the dienone (I) to the linearly conjugated isomer (IX). The spiro dienone (VIII) was prepared by solvolysis of the tosylate (XVI). On irradiation in methanol or dioxane it was converted principally to the cyclopropyl ketone (IV), which, in turn, underwent further rearrangement to the dienone (IX). No evidence for the formation of

  为了在先前报道的二烯酮（I）重排成线性共轭异构体（IX）的过程中获得有关其中间体的证据，已经研究了螺二烯酮（VIII）在中性介质中的光化学行为。螺二烯酮（VIII）是通过甲苯磺酸酯（XVI）的溶剂化制备的。在甲醇或二恶烷中照射后，它主要转化为环丙基酮（IV），然后进一步重排为二烯酮（IX）。未检测到形成异构体环丙基酮（XI）的证据。建议光产物（IV）的选择性形成归因于IV的β-甲基取代的烯酮体系相对于α-甲基异构体（XI）的稳定性增强。
• A Modification of the Clemmensen Method of Reduction¹
  作者：Elmore L. Martin

  DOI：10.1021/ja01299a038

  日期：1936.8
• Clemo; Haworth; Walton, Journal of the Chemical Society, 1929, p. 2383
  作者：Clemo、Haworth、Walton

  DOI：——

  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：——