5-methoxycarbonylamino-valeric acid | 756874-11-0

• 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: 5-methoxycarbonylamino-valeric acid
• 英文别名: (4-Carboxy-butyl)-carbamidsaeure-methylester；5-Carbomethoxyamino-valeriansaeure；5-Methoxycarbonylamino-valeriansaeure；5-[(methoxycarbonyl)amino]pentanoic acid；5-(methoxycarbonylamino)pentanoic acid
• CAS: 756874-11-0
• 化学式: C₇H₁₃NO₄
• 分子量: 175.185
• InChiKey: SUONKVQMMFIFIN-UHFFFAOYSA-N

物化性质

• 熔点：
  71-72 °C
• 沸点：
  349.4±25.0 °C(Predicted)
• 密度：
  1.160±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-methoxycarbonylamino-valeric acid 在 氯仿 、 溴 、 三溴化磷 作用下， 生成 3,3-二溴-2-氮己环酮
  参考文献：
  名称：

  Some Reactions of δ-Aminovaleric Acid and its Derivatives

  摘要：

  DOI：

  10.1021/ja01312a014
• 作为产物：
  描述：

  氯甲酸甲酯 、 5-氨基颉草酸 在 aqueous alkali 作用下， 生成 5-methoxycarbonylamino-valeric acid
  参考文献：
  名称：

  Some Reactions of δ-Aminovaleric Acid and its Derivatives

  摘要：

  DOI：

  10.1021/ja01312a014

文献信息

• [EN] HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS<br/>[FR] DERIVES DE DIHYDROISOXAZOLE A SUBSTITUTION HYDROXYMETHYLE POUVANT SERVIR D'AGENTS ANTIBIOTIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2004078753A1

  公开（公告）日：2004-09-16

  Compounds of the formula (I), or a pharmaceutically-acceptable salt, or an in-vivo-hydrolysable ester thereof, (I) R1a is NH(C=W)R5 or (a); W is O or S; R2 and R3 are for example H or F; R1 is for example hydrogen, or halogen; R5 is selected from hydrogen, (2-6C)alkyl (optionally substituted); R6 and R7 are independently selected from hydrogen, and (1-4C)alkyl (optionally substituted); wherein R4 is either a hydroxymethyl substituent on C-4' of the isoxazoline ring; or R4 is a hydroxymethyl substituent on C-5' of the isoxazoline ring and the stereochemistry at C-5' of the isoxazoline ring and at C-5 of the oxazolidinone ring is selected, such that the compound of formula (I) is a single diastereomer; are useful as antibacterial agents; and processes for their manufacture and pharmaceutical compositions containing them are described.

  公式（I）的化合物，或其药学上可接受的盐，或其体内可水解的酯，（I）中R1a是NH(C=W)R5或（a）；W是O或S；R2和R3例如是H或F；R1例如是氢或卤素；R5从氢，（2-6C）烷基（可选地取代）中选择；R6和R7独立地从氢和（1-4C）烷基（可选地取代）中选择；其中R4是异噁唑环的C-4'上的羟甲基取代基；或R4是异噁唑环的C-5'上的羟甲基取代基，且异噁唑环的C-5'和噁唑烷酮环的C-5的立体化学被选择，使得公式（I）的化合物是单一对映体；它们作为抗菌剂是有用的；并描述了它们的制备方法和含有它们的药物组合物。
• Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents
  申请人：Gravestock Barry Michael

  公开号：US20060270637A1

  公开（公告）日：2006-11-30

  Compounds of the formula (I), or a pharmaceutically-acceptable salt, or an in-vivo-hydrolysable ester thereof, (I) R1a is NH(C═W)R 5 or (a); W is O or S; R 2 and R 3 are for example H or F; R 1 is for example hydrogen, or halogen; R 5 is selected from hydrogen, (2-6C)alkyl (optionally substituted); R 6 and R 7 are independently selected from hydrogen, and (1-4C)alkyl (optionally substituted); wherein R 4 is either a hydroxymethyl substituent on C-4′ of the isoxazoline ring; or R 4 is a hydroxymethyl substituent on C-5′ of the isoxazoline ring and the stereochemistry at C-5′ of the isoxazoline ring and at C-5 of the oxazolidinone ring is selected, such that the compound of formula (I) is a single diastereomer; are useful as antibacterial agents; and processes for their manufacture and pharmaceutical compositions containing them are described.

  化合物的公式为(I)，或其药学上可接受的盐，或其体内可水解的酯，其中(I) R1a为NH(C═W)R5或(a)；W为O或S；R2和R3例如为H或F；R1例如为氢或卤素；R5选择自氢、(2-6C)烷基(可选取取代基)；R6和R7独立选择自氢和(1-4C)烷基(可选取取代基)；其中R4为在异氧杂环环的C-4'上的羟甲基取代基；或R4为在异氧杂环环的C-5'上的羟甲基取代基，并且异氧杂环环的C-5'和噁唑烷环的C-5的立体化学被选择，使得公式(I)的化合物是单一对映体。这些化合物作为抗菌剂有用，并且描述了制造它们的过程以及含有它们的制药组合物。
• Oxidative C–N Bond Cleavage of Cyclic Amines with Ammonium Hypochlorite
  作者：Yuya Kaieda、Kosuke Yamamoto、Hiroyuki Toguchi、Natsumi Hanazawa、Masami Kuriyama、Osamu Onomura

  DOI：10.1055/a-2062-8680

  日期：——

  An oxidative C–N bond cleavage of cyclic amines has been developed under metal-free conditions, providing N-Cl-ω-amino acids in moderate to excellent yields. The reactions proceed by using tetramethylammonium hypochlorite (TMAOCl) as an oxidant even on a gram scale. Hofmann–Löffler–Freytag-type reaction of N-Cl-ω-amino acids to form cyclic amino acids has also been demonstrated.

  在无金属条件下开发了环状胺的氧化 C-N 键裂解，以中等到极好的收率提供N -Cl-ω-氨基酸。反应通过使用四甲基次氯酸铵 (TMAOCl) 作为氧化剂进行，即使在克级也是如此。N -Cl-ω-氨基酸形成环状氨基酸的 Hofmann–Löffler–Freytag 型反应也已得到证实。
• HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS
  申请人：AstraZeneca AB

  公开号：EP1599471B1

  公开（公告）日：2008-05-28
• US7192974B2
  申请人：——

  公开号：US7192974B2

  公开（公告）日：2007-03-20