1-octadecyl methyl carbonate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 1-octadecyl methyl carbonate
• 英文别名: Carbonic acid, methyl octadecyl ester；methyl octadecyl carbonate
• 化学式: C₂₀H₄₀O₃
• 分子量: 328.536
• InChiKey: LBMXKELTSCGBGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  23
• 可旋转键数：
  19
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  硬脂醇 、 碳酸二甲酯 在 二正丁基氧化锡 作用下， 以 neat (no solvent) 为溶剂， 反应 5.5h， 以55.44%的产率得到1-octadecyl carbonate
  参考文献：
  名称：

  对称脂肪碳酸二烷基酯作为潜在的绿色相变材料：合成与表征

  摘要：

  对称的脂肪族碳酸二烷基酯构成了一组化学物质，具有很大的潜力作为相变材料（PCM）应用。在这项研究中，在实验室规模上研究了影响这些碳酸盐合成的各种参数，包括：反应物比例，反应温度和时间以及所用催化剂的量。使用FTIR和NMR光谱鉴定所需产物的结构。差示扫描量热法（DSC）分析用于确定合成的对称脂肪碳酸二烷基酯碳酸酯作为PCM在节能应用中的潜力。

  DOI：

  10.1134/s1070363219070223

文献信息

• Antibacterial compound
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20030171330A1

  公开（公告）日：2003-09-11

  A compound of formula (I) 1 wherein R 1 and R 2 represent a hydrogen atom or an aryl, a heterocyclic, an alkyl or an alkenyl, which are optionally substituted, R 3 represents a hydrogen atom or a hydroxyl and X 1 and X 2 represent an oxygen atom, a sulfur atom or a nitrogen containing group, a pharmaceutically acceptable derivative thereof or a salt thereof. A pharmaceutical composition comprising the compound for the prevention or treatment of a bacterial infection. A method for the prevention or treatment of a bacterial infection in a warm-blooded animal comprising administering a pharmacologically effective amount of the compound.

  式（I）的化合物，其中R1和R2代表氢原子或芳基、杂环基、烷基或烯基，可以是可选择取代的；R3代表氢原子或羟基；X1和X2代表氧原子、硫原子或含氮基团，其药用上可接受的衍生物或盐。包括该化合物的药物组合物，用于预防或治疗细菌感染。一种方法，用于在温血动物中预防或治疗细菌感染，包括给予该化合物的药理有效量。
• 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。
• NOVEL A-500359 DERIVATIVES
  申请人：Sankyo Company, Limited

  公开号：EP1209166A1

  公开（公告）日：2002-05-29

  The present invention relates to a compound of formula (I) (wherein R1 and R2 represent an aryl group, a heterocyclic group, an alkyl group, an alkenyl group and the like which are optionally substituted, R3 represents a hydrogen atom or a hydroxyl group, and X1 and X2 represent an oxygen atom or a sulfur atom, or a nitrogen atom which may be substituted), a pharmaceutically acceptable derivative thereof or a salt thereof. The present invention also relates to a pharmaceutical composition comprising a compound described above as an active ingredient for the prevention or treatment of bacterial infections. The present invention includes the use of a compound described above in order to prepare a medicament effective in the prevention or treatment of bacterial infections. The present invention is concerned with a method for the prevention or treatment of bacterial infections in warm-blooded animals comprising administering a pharmacologically effective amount of a compound described above to them.

  本发明涉及一种式(I)化合物（其中 R1 和 R2 代表芳基、杂环基、烷基、烯基等任选被取代的基团，R3 代表氢原子或羟基，X1 和 X2 代表氧原子或硫原子或可被取代的氮原子）、其药学上可接受的衍生物或其盐。 本发明还涉及一种药物组合物，其中包含上述化合物作为活性成分，用于预防或治疗细菌感染。 本发明包括使用上述化合物制备有效预防或治疗细菌感染的药物。 本发明涉及一种预防或治疗温血动物细菌感染的方法，包括给温血动物服用药理有效量的上述化合物。
• 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。