1-(4-(hydroxymethyl)phenoxy)propan-2-one | 321920-84-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(4-(hydroxymethyl)phenoxy)propan-2-one
• 英文别名: 1-[4-(Hydroxymethyl)phenoxy]propan-2-one
• CAS: 321920-84-7
• 化学式: C₁₀H₁₂O₃
• mdl: MFCD14586577
• 分子量: 180.203
• InChiKey: KAZRLSGLGCNHTD-UHFFFAOYSA-N

物化性质

• 沸点：
  325.2±22.0 °C(Predicted)
• 密度：
  1.144±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-(hydroxymethyl)phenoxy)propan-2-one 在 4-二甲氨基吡啶 、 potassium fluoride 、 sodium tetrahydroborate 、 偶氮二甲酸二异丙酯 、 三乙胺 、 三苯基膦 、 4,7,13,16,21,24-六氧-1,10-二氮双环[8.8.8]二十六烷 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 42.67h， 生成 2-tert-butyl-4-chloro-5-[4-(2-fluoropropoxy)benzyloxy]-3-(2H)-pyridazinone
  参考文献：
  名称：

  Contrast agents for applications including perfusion imaging

  摘要：

  本发明在一定程度上涉及用于成像中枢神经系统或癌症的化合物和方法，包括向受试者施用包含结合MC-I的化合物和成像基团的造影剂，并利用诊断成像对受试者进行扫描。

  公开号：

  US09408927B2
• 作为产物：
  描述：

  4-(2-oxopropoxy)benzaldehyde 在 sodium tetrahydroborate 、 sodium carbonate 作用下， 以 水 为溶剂， 反应 2.5h， 以79%的产率得到1-(4-(hydroxymethyl)phenoxy)propan-2-one
  参考文献：
  名称：

  Selective Aldehyde Reduction in Ketoaldehydes with NaBH₄-Na₂CO₃-H₂O at Room Temperatures

  摘要：

  A variety of aliphatic and aromatic ketoaldehydes were reduced to the corresponding ketoalcohols with a mixture of sodium borohydride (1.2 equivalents) and sodium carbonate (sixfold molar excess) in water. Reactions were performed at room temperatures over (typically) 2 h, and yields of isolated products generally ranged from 70% to 85%. A biscarbonate-borane complex, [(BH3)(2)CO2](2-) 2Na(+), possibly formed from the reagent mixture, is likely the active reductant. The moderated reactivity of this acylborane species would explain the chemoselectivity observed in the reactions. The readily available reagents and the mild aqueous conditions make for ease of operation and environmental compatibility, and make a useful addition to available methodology.

  DOI：

  10.1080/00397911.2014.888751

文献信息

• Contrast agents for myocardial perfusion imaging
  申请人：Casebier S. David

  公开号：US20050191238A1

  公开（公告）日：2005-09-01

  The present disclosure is directed, in part, to compounds and methods for imaging myocardial perfusion, comprising administering to a patient a contrast agent which comprises a compound that binds MC-1, and an imaging moiety, and scanning the patient using diagnostic imaging.

  本公开涉及部分用于心肌灌注成像的化合物和方法，包括向患者注射一种对MC-1结合的化合物和成像基团构成的造影剂，并利用诊断成像对患者进行扫描。
• CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING
  申请人：Lantheus Medical Imaging, Inc.

  公开号：US20180009763A1

  公开（公告）日：2018-01-11

  The present disclosure is directed, in part, to compounds and methods for imaging myocardial perfusion, comprising administering to a patient a contrast agent which comprises a compound that binds MC-1, and an imaging moiety, and scanning the patient using diagnostic imaging.

  本公开涉及部分化合物和成像心肌灌注的方法，包括向患者注射一种对MC-1结合的化合物和成像部位的对比剂，并使用诊断成像对患者进行扫描。
• CONTRAST AGENTS FOR APPLICATIONS INCLUDING PERFUSION IMAGING
  申请人：Robinson Simon P.

  公开号：US20110091374A1

  公开（公告）日：2011-04-21

  The present invention is directed, in part, to compounds and methods for imaging the central nervous system or cancer, comprising administering to a subject a contrast agent which comprises a compound that binds MC-I, and an imaging moiety, and scanning the subject using diagnostic imaging.

  本发明部分涉及用于成像中枢神经系统或癌症的化合物和方法，包括向受试者注射一个包含结合MC-I的化合物和成像基团的对比剂，并使用诊断成像对受试者进行扫描。
• Synthesis and Biological Evaluation of the Mitochondrial Complex 1 Inhibitor 2-[4-(4-Fluorobutyl)benzylsulfanyl]-3-methylchromene-4-one as a Potential Cardiac Positron Emission Tomography Tracer
  作者：Heike Radeke、Kelley Hanson、Padmaja Yalamanchili、Megan Hayes、Zhi-Qin Zhang、Michael Azure、Ming Yu、Mary Guaraldi、Mikhail Kagan、Simon Robinson、David Casebier

  DOI：10.1021/jm0701831

  日期：2007.9.1

  A series of fluorinated chromone analogs with IC50 values ranging from 9 to 133 nM for the mitochondrial complex I (MC-I) has been prepared. A structure -activity relationship (SAR) study of the most potent fluorinated chromone analog 10 demonstrated the linkage heteroatom preference of the side chain region of the molecule while maintaining potent MC-I inhibitory activity. Tissue distribution studies 30 min after [F-18]10 administration to Sprague-Dawley (SD) rats demonstrated high uptake of the radiotracer from the blood pool into the myocardium (2.24% ID/g), kidney (1.93% ID/g), and liver (2.00% ID/g). After 2 h about 66% of the activity in the myocardiurn at 30 min had been retained, whereas -70% had been cleared from the liver and kidney. MicroPET images of SD rats after [F-18]10 administration allowed easy assessment of the myocardium through 60 min with minimal lung or liver interference.
• EP1713512A4
  申请人：——

  公开号：EP1713512A4

  公开（公告）日：2009-01-07