benzyl n-propyl carbonate | 25919-06-6

• 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: benzyl n-propyl carbonate
• 英文别名: Benzylpropylcarbonat；benzyl propyl carbonate
• CAS: 25919-06-6
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: URDWHHKUSREXMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  allyl benzyl carbonate 在 {Rh₂(1,5-cyclooctadiene)2[2,6-(Ph₂PCH₂)2C₆H₃O]}(ClO₄) 、 氢气 作用下， 以 四氢呋喃 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 20.0h， 生成 benzyl n-propyl carbonate
  参考文献：
  名称：

  Synthesis of Oxygen- and Sulfur-Bridged Dirhodium Complexes and Their Use As Catalysts in the Chemoselective Hydrogenation of Alkenes

  摘要：

  Oxygen-bridged and sulfur-bridged rhodium homobimetallic complexes were synthesized as airstable crystals by using 2,6-bis(phosphanylmethyl)phenolate and -thiophenolate as the ligands, respectively. The oxygen-bridged dirhodium complex has a symmetrical structure where the carbon atom at the ipso position, oxygen, and two rhodium atoms are located in the same plane. It is thermally stable compared to the sulfur-bridged dirhodium complex and shows catalytic activity for hydrogenation of alkenes with high chemoselectivity.

  DOI：

  10.1021/om100067r

文献信息

• Synthesis of Carbonates and Related Compounds from Carbon Dioxide via Methanesulfonyl Carbonates
  作者：Mark O. Bratt、Paul C. Taylor

  DOI：10.1021/jo026753g

  日期：2003.7.1

  Carbonate anions resulting from reaction of primary or secondary alcohols with carbon dioxide, when added to methanesulfonic anhydride in cooled acetonitrile solution, yield methanesulfonyl carbonates, a new class of synthetic intermediate. Base-mediated reaction of the methanesulfonyl carbonates with alcohols, thiols, and amines yields carbonates, thiocarbonates, and carbamates, respectively. Overall

  由伯醇或仲醇与二氧化碳反应生成的碳酸根阴离子，在冷却的乙腈溶液中加到甲磺酸酐中后，会产生甲磺酰碳酸酯，这是一类新的合成中间体。甲磺酰碳酸酯与醇，硫醇和胺的碱介导反应分别产生碳酸盐，硫代碳酸盐和氨基甲酸酯。这三个步骤的总产率从19％到42％不等。
• Synthesis of Mixed Carbonates via a Three-Component Coupling of Alcohols, CO2, and Alkyl Halides in the Presence of K2CO3 and Tetrabutylammonium Iodide
  作者：Min Shi、Yu-Mei Shen

  DOI：10.3390/70400386

  日期：——

  Various mixed carbonates can be conveniently prepared in good yields using the corresponding alcohols, alkyl halides under CO2 atmosphere in the presence of potassium carbonate or sodium carbonate and tetrabutylammonium iodide.

  可以方便地在二氧化碳气氛下，使用相应的醇、烷基卤化物，在氢氧化钾或氢氧化钠及碳酸四丁铵的存在下，合成各种混合碳酸盐，并获得良好的产率。
• [EN] COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE<br/>[FR] PROMÉDICAMENTS DE LIBÉRATION DE CYCLISATION D'ESTER DE NÉOPENTYLE SULFONYLE D'ESTER D'ACIDE PANTOÏQUE COMPLEXE D'ACAMPROSATE, LEURS COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：XENOPORT INC

  公开号：WO2009033054A1

  公开（公告）日：2009-03-12

  Pantoic acid ester neopentyl sulfonyl ester prodrugs of acamprosate of formula (I), pharmaceutical compositions comprising such prodrugs, and methods of using such prodrugs and compositions thereof for treating diseases are disclosed. In particular, acamprosate prodrugs exhibiting enhanced oral bioavailability and methods of using acamprosate prodrugs to treat neurodegenerative disorders, psychotic disorders, mood disorders, anxiety disorders, somatoform disorders, movement disorders, substance abuse disorders, binge eating disorders, cortical spreading depression related disorders, tinnitus, sleeping disorders, multiple sclerosis and pain are disclosed.

  本发明涉及公式（I）的戊二酸酯新戊基磺酰酯前药，包括这种前药的制药组合物，以及使用这种前药和组合物治疗疾病的方法。具体而言，本发明揭示了具有增强口服生物利用度的戊二酸酯前药，并使用这些前药治疗神经退行性疾病、精神疾病、情绪障碍、焦虑症、躯体形式障碍、运动障碍、物质滥用障碍、暴食障碍、皮层扩散性抑制相关障碍、耳鸣、睡眠障碍、多发性硬化和疼痛等疾病的方法。
• COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE
  申请人：Jandeleit Bernd

  公开号：US20090076147A1

  公开（公告）日：2009-03-19

  Pantoic acid ester neopentyl sulfonyl ester prodrugs of acamprosate, pharmaceutical compositions comprising such prodrugs, and methods of using such prodrugs and compositions thereof for treating diseases are disclosed. In particular, acamprosate prodrugs exhibiting enhanced oral bioavailability and methods of using acamprosate prodrugs to treat neurodegenerative disorders, psychotic disorders, mood disorders, anxiety disorders, somatoform disorders, movement disorders, substance abuse disorders, binge eating disorder, cortical spreading depression related disorders, tinnitus, sleeping disorders, multiple sclerosis, and pain are disclosed.

  本文公开了帕托酸酯新戊磺酰酯丙戊酸酯前药、包含这种前药的制药组合物以及使用这种前药和组合物治疗疾病的方法。具体而言，本文公开了增强口服生物利用度的丙戊酸酯前药，并公开了使用丙戊酸酯前药治疗神经退行性疾病、精神疾病、情绪障碍、焦虑障碍、躯体形式障碍、运动障碍、物质滥用障碍、暴食症、皮层扩散性抑制相关障碍、耳鸣、睡眠障碍、多发性硬化和疼痛的方法。
• 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。