1-naphthylacetaldoxime (anti) | 117135-21-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-naphthylacetaldoxime (anti)
• 英文别名: (Z)-2-(1-naphthyl)acetaldoxime；Z-naphthoacetaldoxime；(NZ)-N-(2-naphthalen-1-ylethylidene)hydroxylamine
• CAS: 117135-21-4
• 化学式: C₁₂H₁₁NO
• 分子量: 185.225
• InChiKey: PRHYOZSIYBXSIE-LCYFTJDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-萘乙酸 在 吡啶 、 氯化亚砜 、 盐酸羟胺 、 二异丁基氢化铝 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 8.0h， 生成 1-naphthylacetaldoxime (anti)
  参考文献：
  名称：

  Synthesis, analysis and rearrangement of novel unnatural glucosinolates

  摘要：

  As part of a structure activity study to examine the interaction of glucosinolates with leaf surfaces,a number of glucosinolates were synthesised bearing novel side chain functionalities. These included 7-carboxyheptyl, heptyl, and naphthyl side chains. For the carboxyheptyl glucosinolate, a novel intramolecular rearrangement reaction was observed during the final deprotection step, which generated an ester attached to the C-3 of glucose. Studies by H-1 NMR spectroscopy showed that the hydrophobic side chain associated with one face of the glucose ring and it was proposed that this was the driving force for the rearrangement. Similar hydrophobic interactions were also observed between the heptyl and naphthyl side chains and the glucose. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0008-6215(00)00308-6

文献信息

• Indolyl-3-acetaldoxime dehydratase from the phytopathogenic fungus Sclerotinia sclerotiorum: Purification, characterization, and substrate specificity
  作者：M. Soledade C. Pedras、Zoran Minic、Premila D. Thongbam、Vangala Bhaskar、Sabine Montaut

  DOI：10.1016/j.phytochem.2010.10.002

  日期：2010.12

  acid sequence of IAD, determined using LC-ESI-MS/MS, identified it as the protein SS1G_01653 from S. sclerotiorum. IADSs was highly homologous (84% amino acid identity) to the hypothetical protein BC1G_14775 from Botryotinia fuckeliana B05.10. In addition, similarity to the phenylacetaldoxime dehydratases from Gibberella zeae (33% amino acid identity) and Bacillus sp. (20% amino acid identity) was noted

  描述了由植物真菌病原体核盘菌产生的吲哚基-3-乙醛肟脱水酶的纯化和表征。底物特异性表明它是一种吲哚基-3-乙醛肟脱水酶（IAD，EC 4.99.1.6），可催化吲哚基-3-乙醛肟转化为吲哚基-3-乙腈。该酶显示出 Michaelis-Menten 动力学，表观分子量为 44 kDa。使用 LC-ESI-MS/MS 确定 IAD 的氨基酸序列，将其鉴定为来自核盘菌的蛋白质 SS1G_01653。IADS 与来自 Botryotinia fuckeliana B05.10 的假设蛋白 BC1G_14775 高度同源（84% 氨基酸同一性）。此外，与来自玉米赤霉（33% 氨基酸同一性）和芽孢杆菌的苯乙醛肟脱水酶相似。注意到（20% 氨基酸同一性）。在厌氧条件下加入 Na(2)S(2)O(4) 后，IADSs 的比活性增加了约 17 倍，但在没有 Na(2)S(2)O(4) 的情况下没有显着变化观
• Rhodococcus gene encoding aldoxime dehydratase
  申请人：——

  公开号：US20030215929A1

  公开（公告）日：2003-11-20

  A gene has been isolated from a Rhodococcus sp. encoding an aldoxime dehydratase enzyme useful for the conversion of aldoxime substrates to nitrilases and other downstream intermediates. The gene has been cloned into a recombinant host and expressed.

  从 Rhodococcus sp.中分离出一个基因，该基因编码一种醛肟脱水酶，可用于将醛肟底物转化为腈酶和其他下游中间产物。该基因已被克隆到重组宿主中并得到表达。
• Kabalka, George W.; Goudgaon, Naganna M., Synthetic Communications, 1988, vol. 18, # 7, p. 693 - 698
  作者：Kabalka, George W.、Goudgaon, Naganna M.

  DOI：——

  日期：——
• A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE
  申请人：E.I. du Pont de Nemours and Company

  公开号：EP1527165A2

  公开（公告）日：2005-05-04
• EP1527165A4
  申请人：——

  公开号：EP1527165A4

  公开（公告）日：2006-06-07