1-(2-羟基-5-甲基-苯基)-戊烷-1,3-二酮 | 104516-35-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2-羟基-5-甲基-苯基)-戊烷-1,3-二酮
• 英文名称: 1-(2-hydroxy-5-methyl-phenyl)-pentane-1,3-dione
• 英文别名: 1-(2-Hydroxy-5-methyl-phenyl)-pentan-1,3-dion；1-(2-hydroxy-5-methylphenyl)-1,3-pentanedione；1-(2-hydroxy-5-methylphenyl)pentane-1,3-dione
• CAS: 104516-35-0
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: ZRNWZWSIKPXODY-UHFFFAOYSA-N

物化性质

• 熔点：
  75-76 °C
• 沸点：
  330.5±27.0 °C(Predicted)
• 密度：
  1.131±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-羟基-5-甲基-苯基)-戊烷-1,3-二酮 在 sodium hydroxide 、 盐酸羟胺 作用下， 以 水 为溶剂， 反应 55.0h， 生成 5-Ethyl-3-(2-hydroxy-5-methyl-phenyl)-pyrazol-1-ol
  参考文献：
  名称：

  Fitton, Alan O.; Patel, Rajeshkumar N.; Millar, Ross W., Journal of Chemical Research, Miniprint, 1986, # 4, p. 1101 - 1127

  摘要：

  DOI：
• 作为产物：
  描述：

  2-羟基-5-甲基苯乙酮 、 丙酸乙酯 在 sodium 作用下， 生成 1-(2-羟基-5-甲基-苯基)-戊烷-1,3-二酮
  参考文献：
  名称：

  322.一些邻乙酰氧基苯乙酮的分子重排和3-酰基色酮的产生机理

  摘要：

  DOI：

  10.1039/jr9330001381

文献信息

• FITTON, A. O.;PATEL, RAJESHKUMAR, N.;MILLAR, R. W., J. CHEM. RES. MICROFICHE, 1986, N 4, 124-125
  作者：FITTON, A. O.、PATEL, RAJESHKUMAR, N.、MILLAR, R. W.

  DOI：——

  日期：——
• USE OF VANADIUM MOLYBDENUM OR TUNGSTEN COMPLEXES FOR CONTROLLING CELLULAR PROLIFERATION
  申请人：Bristol-Myers Squibb Company

  公开号：EP0735880A1

  公开（公告）日：1996-10-09
• VANADYL AND VANADATE FOR USE IN REDUCING STRESS -INDUCED METABOLIC DERANGEMENT
  申请人：CFM Pharma Holding BV

  公开号：EP3684352A1

  公开（公告）日：2020-07-29
• HIGH REFRACTIVE INDEX COMPOSITION
  申请人：Lalgudi Ramanathan S.

  公开号：US20130046054A1

  公开（公告）日：2013-02-21

  A high refractive index composition comprising a reaction product of one or more first organic compounds capable of undergoing polymerization and one or more second compounds with high refractive index, and the method of making and using the composition. A composition comprising an organic compound obtained by coupling two reactive groups (a) and (b), wherein a. the reactive group (a) is Y—(CH 2 )n-M(O—R) 3 , wherein R is CH 3 , C 2 H 5 , C 3 H 8 , C 4 H 10 ; and Y is —NH 2 , —COOH, —NCO, or epoxy; and wherein M is selected from the group consisting of Ti, Zr, V, Mg, Al, Mn, Sb, Ba, Ca, Ce, Si, and Sn; and b. the reactive group (b) is selected from the group consisting of carbazole, fluorene, imidazole with one or more functional groups selected from —OH, —NH 2 , —COOH, —NCO, -epoxy, -vinyl, -acrylic, -acyl, -alkyl, -halide, -amino, -ketone, -allyl, -allylic, -thiol, -isocyanate, and a mixture thereof; and the method of making and using the composition.
• Vanadyl and vanadate for use in reducing stress-induced metabolic derangement
  申请人：CFM Pharma Holding B.V.

  公开号：US20200246352A1

  公开（公告）日：2020-08-06

  The current invention relates to the use of a physiologically acceptable organic and/or inorganic vanadium compound or complex, such as for example bis(maltolato)oxovanadium (BMOV) in the prevention or amelioration of stress-induced metabolic derangement in a subject. More in particular, the invention relates to a physiologically acceptable organic and/or inorganic vanadium compound or complex for use in the amelioration of hyperglycemia in a subject suffering from stress such as elicited by a trauma, wherein the physiologically acceptable organic and/or inorganic vanadium compound or complex is administered to said subject before the trauma is inflicted to the subject. Furthermore, the invention relates to a physiologically acceptable organic and/or inorganic vanadium compound or complex for use in the prevention of hyperglycemia in a subject having a trauma, wherein the physiologically acceptable organic and/or inorganic vanadium compound or complex is administered to said subject before the subject has the trauma. In one embodiment a physiologically acceptable organic and/or inorganic vanadium compound or complex is administered to a human subject 2 to 24 hours before said human subject is subjected to surgery, for the prevention or amelioration of hyperglycemia elicited by a trauma related to the surgery. It is part of the invention that the physiologically acceptable organic and/or inorganic vanadium compound or complex are a source of vanadyl or vanadate in a patient to whom such compound or complex is administered.