2-fluoro-5-benzyloxybenzyl cyanide | 459215-54-4

• 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: 2-fluoro-5-benzyloxybenzyl cyanide
• 英文别名: 2-fluoro-5-benzyloxyphenylacetonitrile
• CAS: 459215-54-4
• 化学式: C₁₅H₁₂FNO
• 分子量: 241.265
• InChiKey: JAGIBRHATPIUBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.47
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  33.02
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-fluoro-5-benzyloxybenzyl cyanide 在 盐酸 、 水 作用下， 以 乙醚 为溶剂， 反应 5.0h， 生成 (2-fluoro-5-benzyloxyphenyl)acetic acid methyl ester
  参考文献：
  名称：

  Syntheses of 6-fluoro-meta-tyrosine and of its metabolites

  摘要：

  6-Fluoro-meta-tyrosine (1) was prepared from 2-fluoro-5-hydroxybenzaldehyde (6) based on an Erlenmeyer-Plochl azlactone strategy. Products of expected metabolism of the amino acid, including 6-fluoro-meta-tyramine (2) and its O-sulfate conjugate (3), (2-fluoro-5-hydrxoyphenyl)acetic acid (4), and 6-fluoro-meta-octopamine (5) also were prepared from 1. The use of a recently reported ultrasound-catalyzed Henry reaction facilitated the preparation of the tyramine derivative 2. The compounds synthesized are available for high performance liquid chromatography (HPLC) standards in positron emission tomography (PET) studies employing 6-[F-18]fluoro-meta-tyrosine and as reference samples for metabolic studies of the amino acid. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(02)00013-1
• 作为产物：
  描述：

  2-氟-5-羟基苯甲醛 在 sodium tetrahydroborate 、 磺酰氯 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 7.5h， 生成 2-fluoro-5-benzyloxybenzyl cyanide
  参考文献：
  名称：

  Syntheses of 6-fluoro-meta-tyrosine and of its metabolites

  摘要：

  6-Fluoro-meta-tyrosine (1) was prepared from 2-fluoro-5-hydroxybenzaldehyde (6) based on an Erlenmeyer-Plochl azlactone strategy. Products of expected metabolism of the amino acid, including 6-fluoro-meta-tyramine (2) and its O-sulfate conjugate (3), (2-fluoro-5-hydrxoyphenyl)acetic acid (4), and 6-fluoro-meta-octopamine (5) also were prepared from 1. The use of a recently reported ultrasound-catalyzed Henry reaction facilitated the preparation of the tyramine derivative 2. The compounds synthesized are available for high performance liquid chromatography (HPLC) standards in positron emission tomography (PET) studies employing 6-[F-18]fluoro-meta-tyrosine and as reference samples for metabolic studies of the amino acid. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(02)00013-1