1-[2'-(5-oxo-2,5-dihydro-[1,2,4]oxadiazol-3-yl)biphenyl-4-ylmethyl]-5-propyl-1H-pyrazole-3-carboxylic acid ((R)-1-benzyl-2-mercaptoethyl)amide | 1260233-10-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: 1-[2'-(5-oxo-2,5-dihydro-[1,2,4]oxadiazol-3-yl)biphenyl-4-ylmethyl]-5-propyl-1H-pyrazole-3-carboxylic acid ((R)-1-benzyl-2-mercaptoethyl)amide
• 英文别名: 1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-N-[(2R)-1-phenyl-3-sulfanylpropan-2-yl]-5-propylpyrazole-3-carboxamide
• CAS: 1260233-10-0
• 化学式: C₃₁H₃₁N₅O₃S
• 分子量: 553.685
• InChiKey: YEAZJTASVWNTFB-XMMPIXPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  98.6
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• PRODUCTION METHOD OF CARBAMIC ACID ESTER
  申请人：NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY

  公开号：US20190185420A1

  公开（公告）日：2019-06-20

  A method of production of carbamic acid ester has a high yield and high selectivity and is superior in economy. The method of production of a carbamic acid ester includes reacting an amine, carbon dioxide, and an alkoxysilane compound in the presence of a catalyst containing a zinc compound or an alkali metal compound or in the presence of an ionic liquid. A carbamic acid ester is produced, for example by reacting aniline, carbon dioxide, and tetramethoxysilane at a temperature of 150 to 180° C. in the presence of zinc acetate and 2,2′-bipyridine.

  一种生产氨基甲酸酯的方法具有高产率和高选择性，并在经济上优越。生产氨基甲酸酯的方法包括在催化剂的存在下，将胺、二氧化碳和烷氧基硅烷化合物反应，所述催化剂含有锌化合物或碱金属化合物或存在于离子液体中。例如，通过在150至180°C的温度下，在锌醋酸和2,2'-联吡啶的存在下，将苯胺、二氧化碳和四甲氧基硅烷反应，可以生产氨基甲酸酯。
• Method for Producing Carbonyl Compund
  申请人：Shinohata Masaaki

  公开号：US20130178645A1

  公开（公告）日：2013-07-11

  A method for producing a carbonyl compound of the present invention comprises a step (X) of reacting a specific compound having a urea bond with a carbonic acid derivative having a carbonyl group (—C(═O)—) under heating at a temperature equal to or higher than the thermal dissociation temperature of the urea bond to obtain the carbonyl compound.

  本发明的生产羰基化合物的方法包括以下步骤（X）：将具有脲键的特定化合物与具有羰基（—C(═O)—）的碳酸衍生物在温度高于或等于脲键热解温度的条件下加热反应，以获得所述羰基化合物。
• 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。
• Treatment of fibrous substrates, such as carpet with fluorochemical
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0102690A1

  公开（公告）日：1984-03-14

  A process for treating fibrous substrates with fluorochemical amine compounds containing one or more fluoroaliphatic radicals and one or more salt-forming amino groups which can have as N-substituents groups containing electron-withdrawing moieties, and salts of such amine compounds is described, as well as the compounds used. Such compounds are useful as treating agents for fibrous substrates, such as textiles, e.g., carpet, to modify surface properties thereof, viz., to impart oil and water repellency to the surface of said substrates.

  本发明描述了一种用含一个或多个氟脂肪基和一个或多个成盐氨基的氟化学胺化合物处理纤维基材的工艺以及所用化合物。此类化合物可用作纤维基材（如纺织品，如地毯）的处理剂，以改变其表面特性，即赋予所述基材表面憎油性和憎水性。