乙基6-(5-甲基-2-氧代-2,3-二氢-1H-咪唑-4-基)-6-氧代己酸酯 | 39215-52-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 乙基6-(5-甲基-2-氧代-2,3-二氢-1H-咪唑-4-基)-6-氧代己酸酯
• 英文名称: 4-methyl-5-(δ-ethoxycarbonylvaleryl)imidazolin-2-one
• 英文别名: ethyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate；6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxo-hexanoic acid ethyl ester；6-(5-Methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxo-hexansaeure-aethylester；ethyl 2,3-dihydro-5-methyl-ε-2-dioxo-1H-imidazole-4-hexanoate；Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate；ethyl 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate
• CAS: 39215-52-6
• 化学式: C₁₂H₁₈N₂O₄
• 分子量: 254.286
• InChiKey: QKLTUZKTQSIWKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  84.5
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  乙基6-(5-甲基-2-氧代-2,3-二氢-1H-咪唑-4-基)-6-氧代己酸酯 在 三氟化硼乙醚 、 溴 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以86%的产率得到4-methyl-5-(α-bromo-δ-ethoxycarbonylvaleryl)imidazolin-2-one
  参考文献：
  名称：

  An unusual case of a 1,5-transfer of a reaction site

  摘要：

  DOI：

  10.1007/bf00947870
• 作为产物：
  描述：

  6-氯-6-氧代己酸乙酯 、 4-甲基-1,3-二氢咪唑-2-酮 在 三氯化铝 、 硝基苯 作用下， 生成 乙基6-(5-甲基-2-氧代-2,3-二氢-1H-咪唑-4-基)-6-氧代己酸酯
  参考文献：
  名称：

  dl-desthiobiotin和相关物质的简单合成。

  摘要：

  DOI：

  10.1021/ja01228a008

文献信息

• [EN] A PROCESS FOR PREPARING 4-METHYL-4-IMIDAZOLIN-2-ONE AND DERIVATIVES THEREOF
  申请人：PFIZER INC.

  公开号：WO1986002070A1

  公开（公告）日：1986-04-10

  (EN) 4-Methyl-4-imidazolin-2-one, useful as a biotin intermediate, is prepared by reacting acetol and urea.(FR) Le 4-méthyl-4-imidazolin-2-one, utile en tant qu'intermédiaire de la biotine, est préparé en faisant réagir de l'acétol avec de l'urée.

  (中文) 4-甲基-4-咪唑啉-2-酮是一种有用的生物素中间体，通过将乙醇和尿素反应制备而成。
• Process for biotin intermediates
  申请人：Pfizer Inc.

  公开号：US04782165A1

  公开（公告）日：1988-11-01

  In the synthesis of biotin and decarboxybiotin, a more direct method for the conversion of 1,3-diacyl-4-(bromomethyl)-5-[(5-alkoxycarbonylpentanoyl) or hexanoyl]-4-imidazolin-2-ones to 1,3-diacyl-4-[(4-alkoxybutanoyl) or pentanoyl]-1H,3H-thieno (3,4-b)imidazol-2-one via the Bunte salt of the formula ##STR1## wherein R is (C.sub.1 -C.sub.5)alkanoyl or (C.sub.2 -C.sub.5) alkoxycarbonyl, X is methyl or (C.sub.2 -C.sub.5)alkoxycarbonyl an Y is an alkali metal.

  在生物素和去羧基生物素的合成中，一种更直接的方法是通过Bunte盐的转化，将1,3-二酰基-4-（溴甲基）-5-[(5-烷氧羰基戊酰基)或己酰基]-4-咪唑烷-2-酮转化为1,3-二酰基-4-[(4-烷氧基丁酰基)或戊酰基]-1H,3H-噻吩（3,4-b）咪唑-2-酮。其中Bunte盐的公式为##STR1##其中R为（C.sub.1-C.sub.5）烷酰基或（C.sub.2-C.sub.5）烷氧羰基，X为甲基或（C.sub.2-C.sub.5）烷氧羰基，Y为碱金属。
• Antiviral Compounds and Methods of Use Thereof
  申请人：Guenther Richard H.

  公开号：US20130071353A1

  公开（公告）日：2013-03-21

  Inhibitors of retroviral propagation, methods of treatment and prevention of retroviral infections using the inhibitors, and pharmaceutical compositions including the inhibitors, are disclosed.

  本文披露了逆转录病毒传播的抑制剂、使用这些抑制剂进行逆转录病毒感染的治疗和预防方法，以及包括这些抑制剂的制药组合物。
• Antiviral compounds and methods of use thereof
  申请人：Trana Discovery, Inc.

  公开号：US10098887B2

  公开（公告）日：2018-10-16

  Inhibitors of retroviral propagation, methods of treatment and prevention of retroviral infections using the inhibitors, and pharmaceutical compositions including the inhibitors, are disclosed.

  本研究公开了逆转录病毒传播抑制剂、使用这些抑制剂治疗和预防逆转录病毒感染的方法以及包括这些抑制剂的药物组合物。
• Specific Force Deficit in Skeletal Muscles of Old Rats Is Partially Explained by the Existence of Denervated Muscle Fibers
  作者：M. G. Urbanchek、E. B. Picken、L. K. Kalliainen、W. M. Kuzon

  DOI：10.1093/gerona/56.5.b191

  日期：2001.5.1

  We tested the hypothesis that denervated muscle fibers account for part of the specific force (sF(0)) deficit observed in muscles from old adult (OA) mammals, Whole muscle force (F-0) was quantified for extensor digitorum longus (EDL) muscles of OA and young adult (YA) rats. EDL muscle sF(0) was calculated by dividing F-0 by either total muscle fiber cross-sectional area (CSA) or by innervated fiber CSA. Innervated fiber CSA was estimated from EDL muscle cross sections labeled for neural cell adhesion molecules, whose presence is a marker for muscle fiber denervation. EDL muscles from OA rats contained significantly more denervated fibers than muscles from YA rats (5.6% vs 1.1% of total CSA), When compared with YA muscle, oil muscle demonstrated deficits of 34.1% for F-0, 28.3% for sF(0), and 24.9 % for sF(0) calculated by using innervated CSA as the denominator, Denervated muscle fibers accounted for 11.3% of the specific force difference between normal YA and OA skeletal muscle, Other mechanisms in addition to denervation account for the majority of the sF(0) deficit with aging.