4-hydroxy-3-hydroxymethyl-2-butanone | 2531-70-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-hydroxy-3-hydroxymethyl-2-butanone
• 英文别名: 1-Hydroxy-2-hydroxymethyl-butanon-(3)；4-hydroxy-3-hydroxymethyl-butan-2-one；4-Hydroxy-3-hydroxymethyl-butan-2-on；1.1-Bis-hydroxymethyl-aceton；2-Hydroxymethyl-butanol-(1)-on-(3)；1,1-bis(hydroxymethyl)propanone；4-hydroxy-3-(hydroxymethyl)butan-2-one
• CAS: 2531-70-6
• 化学式: C₅H₁₀O₃
• mdl: MFCD18813435
• 分子量: 118.133
• InChiKey: NQMZUMSFJBKHAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-hydroxy-3-hydroxymethyl-2-butanone 在 monoaluminum phosphate 作用下， 生成 3-(hydroxymethyl)but-3-en-2-one
  参考文献：
  名称：

  DE577256

  摘要：

  公开号：
• 作为产物：
  描述：

  缩水甘油 、 乙腈 在 二氯二茂钛 、 锌 、 sodium dihydrogenphosphate 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 0.83h， 以59%的产率得到4-hydroxy-3-hydroxymethyl-2-butanone
  参考文献：
  名称：

  Titanocene-Promoted Intermolecular Couplings of Epoxides with Nitriles. An Easy Access to β-Hydroxyketones

  摘要：

  Radical couplings of epoxides and nitriles mediated by Cp2TiCl provide a diastereoselective route to the synthesis of beta-hydroxyketones. The conditions of this "aldol-like" reaction are mild enough to avoid the dehydration of the beta-hydroxyketone. The scope of the coupling reaction with functionalized and tetrasubstituted epoxides has been studied. The radical character of the coupling reactions is demonstrated.

  DOI：

  10.1021/jo900479v

文献信息

• Tumor-targeted optical contrast agents
  申请人：MALLINCKRODT INC.

  公开号：US20040141920A1

  公开（公告）日：2004-07-22

  Cyanine dye bioconjugates useful for diagnostic imaging and therapy are disclosed. The conjugates include several cyanine dyes with a variety of bis- and tetrakis (carboxylic acid) homologs. The compounds may be conjugated to bioactive peptides, carbohydrates, hormones, drugs, or other bioactive agents. The small size of the compounds allows more favorable delivery to tumor cells as compared to larger molecular weight imaging agents. The various dyes are useful over the range of 350 to 1300 nm, the exact range being dependent upon the particular dye. The use of dimethylsulfoxide helps to maintain the fluorescence of the compounds. The inventive compounds are useful for diagnostic imaging and therapy, in endoscopic applications for the detection of tumors and other abnormalities, for localized therapy, for photoacoustic tumor imaging, detection and therapy, and for sonofluoresence tumor imaging, detection and therapy.

  揭示了用于诊断成像和治疗的青菁染料生物共轭物。这些共轭物包括几种青菁染料，具有各种双和四(羧酸)同系物。这些化合物可以与生物活性肽、碳水化合物、激素、药物或其他生物活性剂结合。与分子量较大的成像试剂相比，这些化合物的小尺寸使其更有利于输送到肿瘤细胞。各种染料在350到1300纳米范围内是有用的，确切范围取决于特定的染料。二甲基亚砜的使用有助于保持化合物的荧光。这些创新的化合物在诊断成像和治疗中很有用，用于内窥镜应用以检测肿瘤和其他异常，用于局部治疗，用于光声肿瘤成像、检测和治疗，以及用于声荧光肿瘤成像、检测和治疗。
• A new method for preparation of dihydrodinaphthopyranopyrans
  作者：Naciye Talinli、Ahmet Akar、A. Cevdet Aydogan

  DOI：10.1016/s0040-4020(01)81642-2

  日期：1987.1

  The syntheses of 7a,15a-dlhydro-15a-methylnaphtho[2,l-b] naphtho [1',2':5,6] pyrano[3,2-e]pyran (II) and 7a,15a-dihydro-7a-methyl-15a-isopropyi naphtho [2,1-b] naphtho [1' ,2' : 5,6] pyrano [3,2-e] pyran (III) from 2-naphthol and corresponding dimethylol ketones in one step were described. Amberlyst-15® was used as catalyst.

  7a，15a-dlhydro-15a-甲基萘[2，lb]萘[1'，2'：5,6]吡喃并[3,2-e]吡喃（II）和7a，15a-二氢-7a-的合成描述了一步法描述了由2-萘酚和相应的二羟甲基酮形成的甲基-15a-异丙基萘并[2,1-b]萘并[1'，2'：5,6]吡喃并[3,2-e]吡喃（III） 。Amberlyst-15用作催化剂。
• Novel dyes for organ function monitoring
  申请人：Mallinckrodt Inc.

  公开号：US20040202611A1

  公开（公告）日：2004-10-14

  Highly hydrophilic indole and benzoindole derivatives that absorb and fluoresce in the visible region of light are disclosed. These compounds are useful for physiological and organ function monitoring. Particularly, the molecules of the invention are useful for optical diagnosis of renal and cardiac diseases and for estimation of blood volume in vivo.

  本发明揭示了高度亲水性的吲哚和苯并吲哚衍生物，它们吸收和在可见光区域荧光。这些化合物对于生理和器官功能监测非常有用。特别地，本发明的分子对于肾脏和心脏疾病的光学诊断以及体内血容量的估计非常有用。
• Light sensitive compounds for instant determination of organ function
  申请人：Mallinckrodt Inc.

  公开号：US20040213740A1

  公开（公告）日：2004-10-28

  Highly hydrophilic indole and benzoindole derivatives that absorb and fluoresce in the visible region of light are disclosed. These compounds are useful for physiological and organ function monitoring. Particularly, the molecules of the invention are useful for optical diagnosis of renal and cardiac diseases and for estimation of blood volume in vivo.

  本发明揭示了高度亲水性的吲哚和苯并吲哚衍生物，其在可见光区吸收和发荧光。这些化合物对生理和器官功能监测有用。特别是，本发明的分子对于肾脏和心脏疾病的光学诊断以及体内血容量的估计是有用的。
• Hydrophilic light absorbing compositions for determination of physiological function in critically ill patients
  申请人：Mallinckrodt, Inc.

  公开号：US20040223913A1

  公开（公告）日：2004-11-11

  Highly hydrophilic indole and benzoindole derivatives that absorb and fluoresce in the visible region of light are disclosed. These compounds are useful for physiological and organ function monitoring. Particularly, the molecules of the invention are useful for optical diagnosis of renal and cardiac diseases and for estimation of blood volume in vivo.

  本发明揭示了高度亲水的吲哚和苯并吲哚衍生物，其吸收和在可见光区发出荧光。这些化合物用于生理和器官功能监测。特别地，本发明的分子对于肾脏和心脏疾病的光学诊断以及体内血容量的估计非常有用。