2-chloroethyl cyclohexanecarboxylate | 22735-95-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-chloroethyl cyclohexanecarboxylate
• 英文别名: Cyclohexanecarboxylic acid, 2-chloroethyl ester
• CAS: 22735-95-1
• 化学式: C₉H₁₅ClO₂
• 分子量: 190.67
• InChiKey: BYAGDENSDHECRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,2-二氯乙烷 、 环己甲酸 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 4.0h， 以93%的产率得到2-chloroethyl cyclohexanecarboxylate
  参考文献：
  名称：

  Synthesis of esters from aldehydes or carboxylic acids with dichloromethane, dichloroethane or dichloropropane under mild conditions

  摘要：

  二氯甲烷（DCM）作为C1来源的新发现：DCM与羧酸或醛在TBHP水溶液中高效合成了亚甲基双酯。这些反应在温和条件下进行，能够以优异至极佳的产率（高达>99%）得到脂肪族和芳香族亚甲基双酯。同样的方法，可以从1,2-二氯乙烷和1,3-二氯丙烷分别容易地获得良好的至极佳产率的2-氯乙基苯甲酸酯和3-氯丙基苯甲酸酯。

  DOI：

  10.1039/c3ra43615b

文献信息

• PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE
  申请人：Gangakhedkar Archana

  公开号：US20100048651A1

  公开（公告）日：2010-02-25

  Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions comprising prodrugs of methyl hydrogen fumarate, and methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof for treating diseases such as psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, and arthritis are disclosed.

  本发明公开了甲基氢富马酸的前药、包含甲基氢富马酸前药的药物组合物，以及利用甲基氢富马酸前药和药物组合物治疗牛皮癣、哮喘、多发性硬化、炎症性肠病和关节炎等疾病的方法。
• [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。
• METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF
  申请人：Gangakhedkar Archana

  公开号：US20120095003A1

  公开（公告）日：2012-04-19

  Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions comprising prodrugs of methyl hydrogen fumarate, and methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof for treating diseases such as psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, and arthritis are disclosed.

  本发明涉及甲基氢富马酸的前药、包含甲基氢富马酸前药的制药组合物以及使用甲基氢富马酸前药和制药组合物治疗诸如银屑病、哮喘、多发性硬化症、炎症性肠病和关节炎等疾病的方法。
• Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use
  申请人：XenoPort, Inc.

  公开号：EP2650279A2

  公开（公告）日：2013-10-16

  Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions comprising prodrugs of methyl hydrogen fumarate, and methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof for treating diseases such as psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, and arthritis are disclosed.

  本发明公开了富马酸甲酯原药、包含富马酸甲酯原药的药物组合物，以及使用富马酸甲酯原药及其药物组合物治疗牛皮癣、哮喘、多发性硬化症、炎症性肠病和关节炎等疾病的方法。