2-Butynedioic acid, monoethyl ester | 38391-86-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-Butynedioic acid, monoethyl ester
• 英文别名: 4-ethoxy-4-oxobut-2-ynoate
• CAS: 38391-86-5
• 化学式: C6H5O4-
• 分子量: 141.1
• InChiKey: KXFBGXZEKANBLZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-氨基-5-甲基-4H-1,2,4-三唑 、 2-Butynedioic acid, monoethyl ester 在 二氯甲烷 、 silica gel 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以gave 10.8 g of the objective compound as colorless crystals的产率得到7-ethoxycarbonyl-5-hydroxy-3-methyl-s-triazolo[4,3-a]pyrimidine
  参考文献：
  名称：

  Cephalosporin derivatives

  摘要：

  本发明涉及新型头孢菌素衍生物，其制备方法，包含新型头孢菌素衍生物作为活性成分的预防和/或治疗传染病的组合物，以及头孢菌素衍生物合成中的中间体化合物和其制备方法。根据本发明，新型头孢菌素衍生物含有紧凑的杂环基团，特别是三唑嘧啶环或噻唑嘧啶环作为头孢菌素骨架的3位取代基，并在头孢菌素骨架的7位取代基处具有羟肟基，烷氧基肟或酰氧基肟基团。本发明中含有上述取代基的化合物对革兰氏阴性菌和包括甲氧西林耐药金黄色葡萄球菌在内的革兰氏阳性菌具有强烈的抗菌活性。这些化合物对于治疗传染病非常有用。

  公开号：

  US04888332A1

文献信息

• Therapeutic quinolone compounds with 5-ht-antagonistic properties
  申请人：Haeberlein Markus

  公开号：US20050085457A1

  公开（公告）日：2005-04-21

  Provided herein is a compound having the formula (I) (R 2 is typically a tertiary nitrogen atom, being either alkyl-substituted or member of q heterocyclic ring; R 7 is typically a monocyclic or bicyclic aromatic ring or a heterocyclic ring) wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B and 5HT 1D antagonists.

  本文提供的化合物具有公式（I）（其中，R2通常是三级氮原子，可以是烷基取代或q杂环环成员; R7通常是单环或双环芳香环或杂环环），其中所述化合物可用于治疗精神障碍，包括但不限于抑郁症、广泛性焦虑、进食障碍、痴呆症、惊恐障碍和睡眠障碍。这些化合物还可以用于治疗胃肠道疾病、心血管调节、运动障碍、内分泌障碍、血管痉挛和性功能障碍。这些化合物是5HT1B和5HT1D拮抗剂。
• Therapeutic chromone compounds
  申请人：——

  公开号：US20040087575A1

  公开（公告）日：2004-05-06

  Provided herein is a compound of the formula (I) wherein said compound is useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating, disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B antagonists. Also provided herein are processes for making compounds of Formula (I) and intermediate compounds.

  本文提供了一种公式为（I）的化合物，该化合物可用于治疗精神障碍，包括但不限于抑郁症、广泛性焦虑、进食障碍、痴呆症、惊恐障碍和睡眠障碍。该化合物还可用于治疗胃肠道障碍、心血管调节、运动障碍、内分泌障碍、血管痉挛和性功能障碍。该化合物是5HT1B拮抗剂。本文还提供了制备公式（I）化合物和中间体化合物的方法。
• Therapeutic heterocyclic compounds
  申请人：——

  公开号：US20030013708A1

  公开（公告）日：2003-01-16

  Provided herein is a compound having the formula (I): 1 Wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B and 5HT 1D antagonists.

  本文提供的化合物具有以下公式（I）：1其中所述化合物可用于治疗精神障碍，包括但不限于抑郁症、广泛性焦虑症、进食障碍、痴呆症、惊恐障碍和睡眠障碍。该化合物也可用于治疗胃肠道障碍、心血管调节、运动障碍、内分泌障碍、血管痉挛和性功能障碍。该化合物是5HT1B和5HT1D拮抗剂。
• Therapeutic chroman compounds
  申请人：——

  公开号：US20040110745A1

  公开（公告）日：2004-06-10

  Provided herein is a compound represented by the Formula (I) wherein said compounds are useful for the treatment of migraine. Also provided are processes for the preparation of compounds of Formula (I) and intermediates.

  本文提供的是一种由公式（I）所代表的化合物，其中该化合物对于治疗偏头痛具有用途。同时，本文还提供了制备公式（I）化合物和中间体的方法。
• Therapeutic quinoline compounds
  申请人：Haeberlein Markus

  公开号：US20060178372A1

  公开（公告）日：2006-08-10

  Provided herein is a compound having the formula (I): Wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B and 5HT 1D antagonists.

  本文提供的化合物具有公式（I）：其中所述的化合物可用于治疗精神障碍，包括但不限于抑郁症，广泛性焦虑症，进食障碍，痴呆症，惊恐障碍和睡眠障碍。该化合物还可以用于治疗胃肠道疾病，心血管调节，运动障碍，内分泌障碍，血管痉挛和性功能障碍。该化合物是5HT1B和5HT1D拮抗剂。