3,4-二羟基丁醛 | 34764-22-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,4-二羟基丁醛
• 英文名称: 3,4-dihydroxy-butyraldehyde
• 英文别名: DL-2-deoxy-tetrose；Butanal, 3,4-dihydroxy-；3,4-dihydroxybutanal
• CAS: 34764-22-2
• 化学式: C₄H₈O₃
• 分子量: 104.106
• InChiKey: CQSYGAZTCJHVFE-UHFFFAOYSA-N

物化性质

• 熔点：
  67-69 °C
• 沸点：
  290.2±30.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  3-羟基-2-氧代丙酸 、 3,4-二羟基丁醛 在 转酮醇酶 thiamine pyrophosphate 、 magnesium chloride 作用下， 以 水 为溶剂， 生成 D-erythro-4-deoxy-[2]hexulose
  参考文献：
  名称：

  Enzyme-catalyzed synthesis of carbohydrates: synthetic potential of transketolase

  摘要：

  The synthetic potential of yeast or spinach transketolases was studied, using hydroxypyruvate as a donor substrate and 31 aldehydes as acceptors. All of them react, including aromatic, heteroaromatic and alpha,beta unsaturated aldehydes.

  DOI：

  10.1016/s0040-4039(00)93434-8
• 作为产物：
  描述：

  4,4-diethoxy-butane-1,2-diol 在 buffer pH 1 作用下， 反应 3.5h， 以92%的产率得到3,4-二羟基丁醛
  参考文献：
  名称：

  Liu, Kevin K.-C.; Pederdon, Richard L.; Wong, Chi-Huey, Journal of the Chemical Society. Perkin transactions I, 1991, p. 2669 - 2673

  摘要：

  DOI：

文献信息

• Fessner, Wolf-Dieter; Walter, Christiane, Angewandte Chemie, 1992, vol. 104, # 5, p. 643 - 645
  作者：Fessner, Wolf-Dieter、Walter, Christiane

  DOI：——

  日期：——
• Synthesis and antibacterial activity of novel water-soluble nocathiacin analogs
  作者：Libo Xu、Amy K. Farthing、James F. Dropinski、Peter T. Meinke、Christine McCallum、Emily Hickey、Kun Liu

  DOI：10.1016/j.bmcl.2012.10.065

  日期：2013.1

  Semi-synthetic water-soluble analogs were synthesized from nocathiacin I through the formation of a versatile intermediate nocathiacin amine 5, and subsequent transformation via reductive amination, acylation or urea formation. Several of the novel analogs displayed much improved aqueous solubility over 1, while retained antibacterial activity. Compound 15 and 16 from the amide series, demonstrated excellent in vitro and in vivo antibacterial activity. (C) 2012 Elsevier Ltd. All rights reserved.
• Enzyme-catalyzed synthesis of carbohydrates: synthetic potential of transketolase
  作者：Colette Demuynck、Jean Bolte、Laurence Hecquet、Valérie Dalmas

  DOI：10.1016/s0040-4039(00)93434-8

  日期：1991.9

  The synthetic potential of yeast or spinach transketolases was studied, using hydroxypyruvate as a donor substrate and 31 aldehydes as acceptors. All of them react, including aromatic, heteroaromatic and alpha,beta unsaturated aldehydes.
• Liu, Kevin K.-C.; Pederdon, Richard L.; Wong, Chi-Huey, Journal of the Chemical Society. Perkin transactions I, 1991, p. 2669 - 2673
  作者：Liu, Kevin K.-C.、Pederdon, Richard L.、Wong, Chi-Huey

  DOI：——

  日期：——