N,N'-hexanediyl-di(carbamic acid (2-phenylethyl) ester) | 16644-58-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-hexanediyl-di(carbamic acid (2-phenylethyl) ester)
• 英文别名: 1,6-bis-[(phenyl ethoxy)-carbonylamino]-hexane；N,N'-(Hexamethylen)-bis-(phenethyl)-urethan；2-phenylethyl N-[6-(2-phenylethoxycarbonylamino)hexyl]carbamate
• CAS: 16644-58-9
• 化学式: C₂₄H₃₂N₂O₄
• 分子量: 412.529
• InChiKey: TWIODDFVKKFLTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  30
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-hexanediyl-di(carbamic acid (2-phenylethyl) ester) 220.0~260.0 ℃ 、26.0 kPa 条件下， 生成 1,6-己二异氰酸酯
  参考文献：
  名称：

  PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER

  摘要：

  公开号：

  EP2322504B9
• 作为产物：
  描述：

  1,6-己二胺 以 4-庚基苯酚 为溶剂， 120.0~240.0 ℃ 、13.0 kPa 条件下， 生成 N,N'-hexanediyl-di(carbamic acid (2-phenylethyl) ester)
  参考文献：
  名称：

  PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER

  摘要：

  公开号：

  EP2322504B9

文献信息

• 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。
• Verfahren zur Herstellung von N,O-disubstituierten Urethanen
  申请人：BAYER AG

  公开号：EP0027952A1

  公开（公告）日：1981-05-06

  Die Erfindung betrifft ein neues Verfahren zur Herstellung von N,O-disubstituierten Urethanen durch Umsetzung von primären Aminen und Alkoholen mit Carbonylgruppen aufweisenden organischen Verbindungen im Temperaturbereich von 120 bis 350° C, bei welchem man als Carbonylgruppen aufweisende organische Verbindungen N-unsubstituierte Urethane und gegebenenfalls N-mono oder N,N'-disubstituierte Harnstoffe bzw. Polyharnstoffe verwendet, sowie die Verwendung der Verfahrensprodukte als Ausgangsmaterial zur Herstellung von organischen Isocyanaten.

  本发明涉及一种在 120 至 350°C 温度范围内通过伯胺和醇与含羰基的有机化合物 反应制备 N,O-二取代氨基甲酸酯的新工艺，其中使用 N-未取代氨基甲酸酯和任选的 N-单取代或 N,N'-二取代氨基脲或多氨基脲作为含羰基的有机化合物，并将该工艺产物用作制备有机异氰酸酯的起始原料。
• Sinyavskii,V.G. et al., Journal of Organic Chemistry USSR (English Translation), 1967, vol. 3, # 5, p. 836 - 839
  作者：Sinyavskii,V.G. et al.

  DOI：——

  日期：——
• N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester
  申请人：Miyake Nobuhisa

  公开号：US20110160476A1

  公开（公告）日：2011-06-30

  The present invention provides a method for producing N-substituted carbamic acid-O-aryl ester derived from a compound having an ureido group, the method comprising the step of carrying out esterification or esterification and transesterification from the compound having the ureido group and a hydroxy composition containing one type or a plurality of types of hydroxy compounds.
• 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：US20140194644A1

  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.