2-羟基-2',6'-二乙基乙酰苯胺 | 52559-52-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-羟基-2',6'-二乙基乙酰苯胺
• 中文别名: 4-氨基-3-硝基-5-β-羟基乙基苯胺
• 英文名称: 2-hydroxy-2',6'-diethylacetanilide
• 英文别名: 2-Hydroxy-N-(2,6-diethylphenyl)acetamide；N-(2,6-diethylphenyl)-2-hydroxyacetamide
• CAS: 52559-52-1
• 化学式: C₁₂H₁₇NO₂
• mdl: MFCD00155382
• 分子量: 207.272
• InChiKey: JQQZSHMUVAYCDW-UHFFFAOYSA-N

物化性质

• 保留指数：
  1889;1831;306.4

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  2-羟基-2',6'-二乙基乙酰苯胺 在 氯化亚砜 作用下， 生成 3-(2,6-Diethylphenyl)-1,2,3-oxathiazolidin-4-on-2-oxid
  参考文献：
  名称：

  Chupp,J.P., Journal of Heterocyclic Chemistry, 1974, vol. 11, p. 1 - 5

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二乙基苯胺 在 sodium acetate aq. NaCO₃ 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 6.5h， 生成 2-羟基-2',6'-二乙基乙酰苯胺
  参考文献：
  名称：

  Leaching properties of some degradation products of alachlor and metolachlor

  摘要：

  Once in soil, pesticides undergo degradation processes that give rise to a complex pattern of metabolites. Those presenting a significant percentage of formation, genotoxic and leaching properties may pose a threat to human health associated with the consumption of drinking water. The aim of this study is to assess the hazard potential of some metabolites that may occur in ground water. 2,6-diethylaniline, 2-chloro-2',6'-diethylacetanilide, 2-hydroxy-2',6'-diethylacetanilide, metabolites of alachlor and 2-ethyl-6-methylaniline, metabolite of metolachlor, were chosen for their genotoxic properties. Under laboratory conditions, these metabolites showed DT50 = 1-5 days and K-oc = 45-357. Their leaching potential, calculated according to Gustafson, is very low and, therefore, they should not be regarded as contaminants of ground waters. Aged residue leaching studies as well as preliminary studies on well waters seem to confirm these findings. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0045-6535(99)00513-5

文献信息

• Occurrence of Alachlor Environmental Degradation Products in Groundwater
  作者：Thomas L. Potter、Thomas L. Carpenter

  DOI：10.1021/es00006a018

  日期：1995.6.1

  Groundwater samples collected beneath a Massachusetts corn field were analyzed by gas chromatography/mass spectrometry. In addition to alachlor, 20 compounds were detected whose El and CIMS data indicated that they were derived from alachlor, presumably via environmental degradation. Structural assignments were confirmed for six of these compounds by analysis of standards. They were among 10 alachlor-related compounds that were synthesized by use of either the parent compound or 2,6-diethylaniline as starting material. To our knowledge, none of the confirmed compounds have previously been reported in groundwater samples. The concentration range of the degradation products ranged from 4 to 570 ng L(-1). In all samples, the total concentration of the degradation products exceeded the parent compound concentration by at least 2-fold.
• Metabolites of Alachlor in Water:  Identification by Mass Spectrometry and Chemical Synthesis
  作者：S. Mangiapan、E. Benfenati、P. Grasso、M. Terreni、M. Pregnolato、G. Pagani、D. Barceló

  DOI：10.1021/es970380x

  日期：1997.12.1

  This biodegradation study of alachlor in water was designed to assess the presence and the identity of metabolites. Alachlor was incubated in river water for 28 days. The pesticide and its transformation products were extracted by solid phase extraction and analyzed by gas chromatography/mass spectrometry. Selected samples were also analyzed by liquid chromatography/mass spectrometry. The disappearance of the pesticide was not significative, but several compounds were identified as alachlor metabolites. Nine compounds were confirmed by comparison with synthetic standards. One metabolite has never been reported. For seven molecules, formulae were presumed on the basis of spectrum interpretation and literature data.
• PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS
  申请人：Seattle Children's Hospital (dba Seattle Children's Research Institute)

  公开号：US20200087399A1

  公开（公告）日：2020-03-19

  Aspects of the invention described herein relate to synthetic compounds that are useful for targeting and labeling tumor cells so as to facilitate recognition by binding agents including Chimeric Antigen Receptor T cells (CAR T cells), which are administered to a subject by intravenous or locoregional administration. Several compositions and methods of making and using these compositions to treat or inhibit a disease in a subject are contemplated.
• METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS
  申请人：Seattle Children's Hospital (dba Seattle Children's Research Institute)

  公开号：US20210317407A1

  公开（公告）日：2021-10-14

  Some embodiments of the methods and compositions provided herein relate to the use of hapten labeled cells to stimulate chimeric antigen receptor (CAR) T cells. In some embodiments, CAR T cells can include a CAR that specifically binds to a hapten. Some embodiments relate to the in vivo or in vitro stimulation CAR T cells by hapten labeled cells.
• Leaching properties of some degradation products of alachlor and metolachlor
  作者：L Fava、P Bottoni、A Crobe、E Funari

  DOI：10.1016/s0045-6535(99)00513-5

  日期：2000.11

  Once in soil, pesticides undergo degradation processes that give rise to a complex pattern of metabolites. Those presenting a significant percentage of formation, genotoxic and leaching properties may pose a threat to human health associated with the consumption of drinking water. The aim of this study is to assess the hazard potential of some metabolites that may occur in ground water. 2,6-diethylaniline, 2-chloro-2',6'-diethylacetanilide, 2-hydroxy-2',6'-diethylacetanilide, metabolites of alachlor and 2-ethyl-6-methylaniline, metabolite of metolachlor, were chosen for their genotoxic properties. Under laboratory conditions, these metabolites showed DT50 = 1-5 days and K-oc = 45-357. Their leaching potential, calculated according to Gustafson, is very low and, therefore, they should not be regarded as contaminants of ground waters. Aged residue leaching studies as well as preliminary studies on well waters seem to confirm these findings. (C) 2000 Elsevier Science Ltd. All rights reserved.