2-hydroxyphenylphenoxymethane | 76176-97-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-hydroxyphenylphenoxymethane
• 英文别名: 2-(phenoxymethyl)phenol；2-phenoxymethylphenol
• CAS: 76176-97-1
• 化学式: C₁₃H₁₂O₂
• 分子量: 200.237
• InChiKey: WNKFGPVMJCGWIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-hydroxyphenylphenoxymethane 在 氢氧化钾 作用下， 以 氯仿 、 水 、 丙酮 为溶剂， 生成 2-(4-phenoxymethylphenoxy)-2-methylpropionic acid
  参考文献：
  名称：

  Phenoxypropionic acid derivatives

  摘要：

  苯氧丙酸衍生物的化学式为##SPC1##其中Q为H或卤素原子，R为H或CH.sub.3，Z为--OH，--O-烷基（1-4个碳原子），1-甲基-4-哌啶氧或--NHCH.sub.2 CH.sub.2 OH，以及其生理上可接受的盐；具有降低胆固醇和甘油三酯血清水平的活性，可以通过苯酚##SPC2##与化合物X-CR(CH.sub.3)--CO--Z（其中X为Cl、Br、I或自由或酯化的OH基团，Q、R和Z具有上述给定的值）反应制备。

  公开号：

  US03968143A1
• 作为产物：
  描述：

  2-((tert-butyldimethylsilyl)oxy)benzaldehyde 在 sodium tetrahydroborate 、 氯化亚砜 、 四丁基氟化铵 、 silver nitrate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 6.2h， 生成 2-hydroxyphenylphenoxymethane
  参考文献：
  名称：

  温和快速的方法生成邻-（萘）醌甲基甲酰胺中间体

  摘要：

  已经设计了一种新的温和的方法，用于通过氟化物诱导邻羟基苄基（或1-萘甲基）硝酸酯的甲硅烷基衍生物的甲硅烷基化来生成邻（萘）醌甲基化物。反应性邻-（萘）醌甲基化物中间体被C，O，N和S亲核试剂俘获，并与亲二烯体进行“反电子需求”异Diels-Alder反应，得​​到稳定的加合物。该方法在天然产物合成和药物研究中具有潜在的潜在应用价值。

  DOI：

  10.1021/ol203196n

文献信息

• 2-IMIDAZOLINES
  申请人：Galley Guido

  公开号：US20090018180A1

  公开（公告）日：2009-01-15

  The present invention relates to compounds of formula I wherein X—Y, R 1 , and n are as defined herein and to their pharmaceutically active salts. Compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1 and are useful for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.

  本发明涉及式I的化合物，其中X—Y、R1和n如本文所定义，并且涉及它们的药用活性盐。式I的化合物对痕量胺相关受体（TAARs）具有良好的亲和力，特别是对TAAR1，适用于治疗抑郁症、焦虑障碍、双相情感障碍、注意力缺陷多动障碍（ADHD）、与压力有关的障碍、精神分裂症等精神障碍、帕金森病等神经系统疾病、阿尔茨海默病等神经退行性疾病、癫痫、偏头痛、高血压、物质滥用以及代谢性障碍，如进食障碍、糖尿病、糖尿病并发症、肥胖症、血脂异常、能量消耗和吸收障碍、体温稳态障碍、睡眠和昼夜节律障碍，以及心血管疾病。
• AMINOETHYLATION PROCESS HAVING IMPROVED YIELD OF ARYLOXYALKYLENE AMINE COMPOUNDS AND REDUCED UREA BY-PRODUCTS
  申请人：McDougall Patrick J.

  公开号：US20140073814A1

  公开（公告）日：2014-03-13

  Disclosed is a process for preparing an aryloxyalkylene amine compound via an aminoethylation reaction comprising: a) reacting an aromatic hydroxyl compound in the presence of a basic catalyst with a 2-oxazolidinone compound of the formula II to form an intermediate reaction product; wherein R 3 is selected from the group consisting of hydrogen or lower alkyl having 1 to 6 carbon atoms, R 4 is selected from the group consisting of hydrogen, straight or branched chain alkyl having from one to six carbon atoms, phenyl, alkaryl, or arylalkyl; and b) reacting the intermediate product of step a) with a polyalkylene polyamine.

  揭示了一种通过氨基乙基化反应制备芳基氧基烷胺化合物的过程，包括：a)在碱性催化剂存在下，将芳香羟基化合物与式II的2-噁唑烷酮化合物反应，形成中间反应产物；其中R3选自氢或1至6个碳原子的较低烷基，R4选自氢、一元或分支链烷基（含1至6个碳原子）、苯基、烷基芳基或芳基烷基；b)将步骤a）中间产物与聚烷基聚胺反应。
• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Shinohata Masaaki

  公开号：US20110133121A1

  公开（公告）日：2011-06-09

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.

  本发明涉及一种从有机胺、碳酸衍生物和含有一种或多种羟基化合物中制得的N-取代氨基甲酸酯的制备方法，其中使用一种含有冷凝器的脲类生产反应容器反应有机胺、碳酸衍生物和羟基化合物，将含有羟基化合物的气体、来自碳酸衍生物衍生的含有羰基基团的化合物、以及在反应中形成的氨气体引入到脲类生产反应容器中的冷凝器中，使羟基化合物和含有羰基基团的化合物冷凝，其中在冷凝的羟基化合物中所含有的羟基化合物与冷凝的含有羰基基团的化合物中所含有的羰基基团的化合物的比例为1或更多，而且在从冷凝器中回收的氨气体中所含有的羰基基团（—C(═O)—）数与氨分子数的比例为1或更少。
• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US20140194650A1

  公开（公告）日：2014-07-10

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.

  本发明是一种从有机胺、碳酸酯衍生物和含有一种或多种羟基化合物中制备N-取代的氨基甲酸酯的方法，其中利用一种尿素生产反应容器反应有机胺、碳酸酯衍生物和羟基化合物，该反应容器配有冷凝器，将含有羟基化合物的气体、由碳酸酯衍生物产生的含有羰基基团的化合物以及在反应中生成的氨引入到尿素生产反应容器中的冷凝器中，将羟基化合物和含有羰基基团的碳酸酯衍生物冷凝，其中在冷凝的羟基化合物中所含的羟基化合物的化学计量比与所冷凝的含有羰基基团的化合物的化学计量比为1或更多，而且所含有羰基基团的化合物中所含的羰基基团（-C(═O)-）的数量与从冷凝器中回收的氨分子数量的比率为1或更小。
• METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER
  申请人：ASAHI KASEI KABUSHIKI KAISHA

  公开号：EP3153499A1

  公开（公告）日：2017-04-12

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (-C(=O)-) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.

  本发明是一种用有机胺、碳酸衍生物和含有一种或多种羟基化合物的羟基组合物生产由有机胺衍生的N-取代氨基甲酸酯的方法，其中有机胺、碳酸衍生物和羟基组合物在一个装有冷凝器的氨基甲酸乙酯生产反应釜中反应、使用配备有冷凝器的聚氨酯生产反应容器对碳酸衍生物和羟基组合物进行反应，将含有羟基组合物、从碳酸衍生物衍生出的具有羰基的化合物以及在反应中作为副产物形成的氨的气体引入聚氨酯生产反应容器中的冷凝器、缩合羟基组合物和具有碳酸衍生物衍生的羰基的化合物，其中缩合羟基组合物中所含的羟基化合物与具有碳酸衍生物衍生的羰基的缩合化合物的化学计量比为 1 或以上、且具有碳酸衍生物衍生的羰基的化合物中所含的羰基数（-C(=O)-）与从冷凝器中作为气体回收的氨中所含的氨分子数之比为 1 或更少。