1--2-propanol | 893574-11-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1--2-propanol
• 英文别名: 1-{[(4-Nitrophenyl)methyl]amino}propan-2-OL；1-[(4-nitrophenyl)methylamino]propan-2-ol
• CAS: 893574-11-3
• 化学式: C₁₀H₁₄N₂O₃
• mdl: MFCD07407311
• 分子量: 210.233
• InChiKey: MELZPPYLLIVSJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  78.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1--2-propanol 在 4 A molecular sieve 、 对甲苯磺酸 、 N,N-二异丙基乙胺 作用下， 以 乙腈 、 苯 为溶剂， 反应 54.0h， 生成 cis-4-N-(4-nitrobenzyl)-7-methoxy-2-methyl-perhydro-1,4-oxazepine
  参考文献：
  名称：

  Digoxin dialdehyde reductive aminations. Structure proof of the perhydro-1,4-oxazepine product

  摘要：

  Digoxin dialdehyde reportedly undergoes reductive amination with primary amines to form a perhydro-1,4-oxazepine; however, no structural proof has been published to substantiate this belief A digoxin perhydro-1,4-oxazepine derivative has been isolated from the reductive amination of digoxin dialdehyde and its structure determined by mass spectroscopy and NMR measurements. Comparison of the NMR, mass spectroscopy, and HPLC of two compounds obtained from the degradation of the digoxin reductive amination product with synthesized perhydro-1,4-oxazepine diastereomers showed them to be identical. We conclude that, under appropriate conditions, reductive amination products can be obtained, but caution that other products may be produced as well, especially under the conditions of bioconjugation to proteins.

  DOI：

  10.1016/0039-128x(95)00115-7
• 作为产物：
  描述：

  在 盐酸 、 phosphate buffer 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 生成 1--2-propanol
  参考文献：
  名称：

  Digoxin dialdehyde reductive aminations. Structure proof of the perhydro-1,4-oxazepine product

  摘要：

  Digoxin dialdehyde reportedly undergoes reductive amination with primary amines to form a perhydro-1,4-oxazepine; however, no structural proof has been published to substantiate this belief A digoxin perhydro-1,4-oxazepine derivative has been isolated from the reductive amination of digoxin dialdehyde and its structure determined by mass spectroscopy and NMR measurements. Comparison of the NMR, mass spectroscopy, and HPLC of two compounds obtained from the degradation of the digoxin reductive amination product with synthesized perhydro-1,4-oxazepine diastereomers showed them to be identical. We conclude that, under appropriate conditions, reductive amination products can be obtained, but caution that other products may be produced as well, especially under the conditions of bioconjugation to proteins.

  DOI：

  10.1016/0039-128x(95)00115-7

文献信息

• Digoxin dialdehyde reductive aminations. Structure proof of the perhydro-1,4-oxazepine product
  作者：Maciej Adamczyk、Jonathan Grote、Phillip G. Mattingly

  DOI：10.1016/0039-128x(95)00115-7

  日期：1995.11

  Digoxin dialdehyde reportedly undergoes reductive amination with primary amines to form a perhydro-1,4-oxazepine; however, no structural proof has been published to substantiate this belief A digoxin perhydro-1,4-oxazepine derivative has been isolated from the reductive amination of digoxin dialdehyde and its structure determined by mass spectroscopy and NMR measurements. Comparison of the NMR, mass spectroscopy, and HPLC of two compounds obtained from the degradation of the digoxin reductive amination product with synthesized perhydro-1,4-oxazepine diastereomers showed them to be identical. We conclude that, under appropriate conditions, reductive amination products can be obtained, but caution that other products may be produced as well, especially under the conditions of bioconjugation to proteins.