N-(5-氯-2-羟基-苯基)氨基甲酸乙酯 | 42953-11-7

• 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: N-(5-氯-2-羟基-苯基)氨基甲酸乙酯
• 英文名称: (5-chloro-2-hydroxy-phenyl)-carbamic acid ethyl ester
• 英文别名: (5-Chlor-2-hydroxy-phenyl)-carbamidsaeure-aethylester；(5-Chlor-2-oxy-phenyl)-urethan；(2-Hydroxy-5-chlorophenyl)carbamic acid ethyl ester；5-Chlor-2-hydroxy-phenylurethan；ethyl N-(5-chloro-2-hydroxyphenyl)carbamate
• CAS: 42953-11-7
• 化学式: C₉H₁₀ClNO₃
• 分子量: 215.636
• InChiKey: KOYKJLUPGYMUHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(5-氯-2-羟基-苯基)氨基甲酸乙酯 生成 氯唑沙宗
  参考文献：
  名称：

  Upson, American Chemical Journal, 1904, vol. 32, p. 15

  摘要：

  DOI：
• 作为产物：
  描述：

  carbonic acid ethyl ester-(2-amino-4-chloro-phenyl ester) 生成 N-(5-氯-2-羟基-苯基)氨基甲酸乙酯
  参考文献：
  名称：

  Grafe; Liebenow, Chemische Berichte, 1973, vol. 106, p. 1724,1726

  摘要：

  DOI：

文献信息

• Cyclization-Activated Prodrugs: N-(Substituted 2-hydroxyphenyl and 2-hydroxypropyl)carbamates Based on Ring-Opened Derivatives of Active Benzoxazolones and Oxazolidinones as Mutual Prodrugs of Acetaminophen
  作者：Alain Vigroux、Michel Bergon、Chantal Zedde

  DOI：10.1021/jm00020a012

  日期：1995.9

  intermediates which cyclize at any pH to the corresponding oxazolidinone drugs. As opposed to model A, the rates of hydrolysis of mutual prodrugs of model B clearly exhibit a catalytic role of the plasma. It is concluded from the plasma studies that the carbamate substrates can be enzymatically transformed into potent electrophiles, i.e., isocyanates. In the case of the present study, the prodrugs are

  分别合成了基于掩蔽的活性苯并恶唑酮（A型）和恶唑烷酮（B型）的N-（取代的2-羟苯基）-和N-（取代的2-羟丙基）氨基甲酸酯，并将其评估为潜在的药物递送系统。制备了一系列与模型A有关的烷基和芳基N-（5-氯-2-羟基苯基）氨基甲酸酯1。这些是骨骼肌松弛药氯唑沙宗的开放药物。相应的4-乙酰氨基苯甲酸酯，名为chlorzacetamol，是氯唑沙宗和对乙酰氨基酚的共同前药。通过将4-乙酰氨基苯基1,2,2,2-四氯乙基碳酸酯与适当的苯胺缩合，可在两步过程中获得氯苯乙胺和其他两种活性苯并恶唑酮和对乙酰氨基酚的互用前药。根据模型B，使用适当的胺类似地获得了对乙酰氨基酚和活性恶唑烷酮的两种互用前药（美他沙酮和美芬沙酮）。发现所有制备的氨基甲酸酯前药在水性（pH 6-11）和血浆（pH 7.4）介质中释放母体药物。在37度水介质中对前药1进行的详细机理研究表明，离去基团ROH的布朗斯台德型关系log t1
• Compositions for the oxidation dyeing of keratinous fibers comprising at least one coupler, and dyeing methods
  申请人：——

  公开号：US20010034914A1

  公开（公告）日：2001-11-01

  Compositions for oxidation dyeing keratinous fibers, for example, human keratinous fibers such as hair, comprising at least one oxidation base and at least one coupler chosen from N-(2-hydroxybenzene)carbamate and N-(2-hydroxybenzene)urea compounds and their acid addition salts of formula (I) and processes comprising such compositions.

  氧化染角蛋白纤维（例如人类角蛋白纤维，如头发）的组合物，包括至少一种氧化剂和至少一种从式（I）中选择的偶联剂，该式中的化合物为N-(2-羟基苯基) 聚氨酯和N-(2-羟基苯基)脲化合物及其酸加成盐，并且包括使用这种组合物的方法。
• Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods
  申请人：——

  公开号：US20020178512A1

  公开（公告）日：2002-12-05

  The subject of the invention is a composition for the oxidation dyeing of keratinous fibers, and in particular human keratinous fibers such as hair, comprising at least one oxidation base, chosen from the pyrazolopyrimidines, and, as coupler, at least one N-(2-hydroxybenzene)carbamate or one N-(2-hydroxy-benzene)urea of formula (I), their use as coupler for the oxidation dyeing of keratinous fibers, and the oxidation dyeing methods using them.

  本发明涉及一种用于氧化染色角蛋白纤维，特别是人类角蛋白纤维（如头发）的组合物，包括至少一种氧化剂，所述氧化剂选择自吡唑嘧啶类化合物，并且，作为偶联剂，至少包括公式（I）中的一种N-(2-羟基苯基)氨基甲酸酯或N-(2-羟基苯基)脲，其作为氧化染色角蛋白纤维的偶联剂，以及使用它们的氧化染色方法。
• Synthesis and structure-activity relationships of new β-adrenoreceptor antagonists. Evidence for the electrostatic requirements for β-adrenoreceptor antagonists
  作者：V Kettmann、J Csöllei、E Račanská、P Švec

  DOI：10.1016/0223-5234(91)90127-9

  日期：1991.12

  A series of mono- and disubstituted phenoxypropanolamines, structurally related to practolol and acebutolol, has been synthesized and tested for beta-adrenoreceptor blocking activity. Structure-activity relationships are discussed. The reasons for the lack of activity of compounds 3n and 4n have also been examined. The results suggest that the negative electrostatic potential above the phenyl ring of phenoxypropanolamines is essential for binding activity and point to the presence of an electropositive residue in the beta-adrenoreceptor binding site.
• Stieglitz; Upson, American Chemical Journal, 1904, vol. 31, p. 501
  作者：Stieglitz、Upson

  DOI：——

  日期：——