2-(oxiran-2-yl)ethyl acetate | 59673-41-5

• 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-(oxiran-2-yl)ethyl acetate
• 英文别名: 3,4-epoxybutan-1-yl acetate；acetate d'epoxy-3,4 butyle；3,4-epoxybutyl acetate；1-acetoxy-2-oxiranyl-ethane；4-acetoxy-1,2-epoxy-butane；4-Acetoxy-1,2-epoxy-butan
• CAS: 59673-41-5
• 化学式: C₆H₁₀O₃
• 分子量: 130.144
• InChiKey: CYJBIBDHIZXACV-UHFFFAOYSA-N

物化性质

• 沸点：
  90 °C(Press: 22 Torr)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(oxiran-2-yl)ethyl acetate 在 Yarrowia lipolytica epoxide hydrolase (Oxy-3) 、 水 作用下， 以20%的产率得到2-[(2S)-oxiran-2-yl]ethyl acetate
  参考文献：
  名称：

  Synthesis of a variety of optically active hydroxylated heterocyclic compounds using epoxide hydrolase technology

  摘要：

  Novel epoxide hydrolases in Yarrowia lipolytica have been shown to hydrolyse a variety of functionalised epoxides with good to excellent stereoselectivity and at high volumetric productivities. Individual biotransformation products have been converted into optically active (R)-(tetrahydrofun-2-yl)methanol (6), (S)-N-benzyl-3-hydroxypyrrolidine (7), (S)-3-hydroxytetrahydrothiophene (8), (S)-N-benzyl-3-acetoxypiperidine (10), (S)-3-hydroxytetrahydrofuran (16) and (R)-[(S)-N-benzylpyrrolidin-2-yl](phenyl)-methanol (20). (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.08.097
• 作为产物：
  描述：

  (3-hydroxy-4-iodobutyl) acetate 在 sodium hydride 作用下， 以 乙醚 为溶剂， 反应 2.0h， 以66%的产率得到2-(oxiran-2-yl)ethyl acetate
  参考文献：
  名称：

  Participation in the formation of iodo ureas from 3-buten-1-ol derivatives

  摘要：

  DOI：

  10.1016/s0040-4020(01)98853-2

文献信息

• Chemokine receptor binding heterocyclic compounds with enhanced efficacy
  申请人：——

  公开号：US20030220341A1

  公开（公告）日：2003-11-27

  The invention relates to heterocyclic compounds consisting of a core nitrogen atom surrounded by three pendant groups, wherein two of the three pendant groups are preferably benzimidazolyl methyl and tetrahydroquinolyl, and the third pendant group contains N and optionally contains additional rings. The compounds bind to chemokine receptors, including CXCR4 and CCR5, and demonstrate protective effects against infection of target cells by a human immunodeficiency virus (HIV).

  这项发明涉及由一个核心氮原子环绕着三个侧链基团的杂环化合物，其中三个侧链基团中的两个最好是苯并咪唑甲基和四氢喹啉基，第三个侧链基团含有N，并且可选地含有额外的环。这些化合物与趋化因子受体结合，包括CXCR4和CCR5，并且表现出对人类免疫缺陷病毒（HIV）感染靶细胞的保护作用。
• [EN] TRITERPENOID COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS TRITERPÉNOÏDES ET PROCÉDÉS POUR LES UTILISER
  申请人：BIOTECHNOLOGY RES CORP LTD

  公开号：WO2010032123A1

  公开（公告）日：2010-03-25

  The present invention provides therapeutically active compounds and compositions as receptor antagonists and methods of use thereof. In one aspect, the compounds are useful in modulating pain, inflammation and acute phase reactions by inhibiting the PGE2 receptors including PGE2 EP1, EP2 and EP4 receptors.

  本发明提供了作为受体拮抗剂的治疗活性化合物和组合物，以及它们的使用方法。在一个方面，这些化合物在通过抑制包括PGE2 EP1、EP2和EP4受体在内的PGE2受体来调节疼痛、炎症和急性阶段反应方面是有用的。
• FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM
  申请人：SHOWA DENKO K.K.

  公开号：US20190084911A1

  公开（公告）日：2019-03-21

  The present invention relates to a fluorine-containing ether compound represented by Formula (1), R 1 —R 2 —CH 2 —R 3 —CH 2 —R 4 (1). (In Formula (1), R 1 is an end group including an organic group having at least one double bond or triple bond, R 2 is a divalent linking group bonded to R 1 by etheric oxygen, R 3 is a perfluoropolyether chain, R 4 is an end group having two or three polar groups with each polar group being bonded to different carbon atoms, and the carbon atoms, to which the polar groups are bonded, being bonded to each other via a linking group including carbon atoms to which the polar groups are not bonded.)

  该发明涉及一种由化学式（1）表示的含氟醚化合物，R1—R2—CH2—R3— —R4（1）。在化学式（1）中，R1是包括至少一个双键或三键的有机基团的末端基团，R2是通过醚氧与R1相结合的二价连接基团，R3是全氟聚醚链，R4是具有两个或三个极性基团的末端基团，每个极性基团与不同的碳原子结合，而与极性基团结合的碳原子通过包括极性基团未结合的碳原子的连接基团相互结合。
• Synthesis and thermal decomposition of cis-3,4,5,6-tetrahydropyridazine-3,4-d2. Relative rates of rotation, cleavage, and closure for tetramethylene
  作者：Peter B. Dervan、Donald S. Santilli

  DOI：10.1021/ja00531a031

  日期：1980.5

  are reported. The thermal decomposition of cis-3,4,5,6-tetrahydropyridazine-3,4-d₂ (6 ) (gas phase, 439°C affords 67.1 ± 0.9% cis-ethylene-1,2-d₂, 16.1 ± 0.8% trans-ethylene-1,2-d₂,9.4 ± 0.4% cis-cyclobutane-1,2-dz, and 7.4 f 0.4% trans-cyclobutane-1.2-d₂. The relative rates of rotation, cleavage, and closure for this 1,2-diazene generated tetramethylene-d₂ are k(cleavage)/k(closure) = 2.2 ± 0.2 and

  顺式-3,4,5,6-四氢哒嗪-3,4-d 2 (6 )和顺-和反式-环丁烷-1,2-d 2 的立体有择合成已有报道。顺式-3,4,5,6-四氢哒嗪-3,4-d 2 (6)的热分解（气相，439°C得到67.1±0.9%顺式-乙烯-1,2-d2，16.1±0.8% trans-ethylene-1,2-d2,9.4 ± 0.4% cis-cyclobutane-1,2-dz, and 7.4 f 0.4% trans-cyclobutane-1.2-d2. 旋转、裂解和闭合的相对速率 1 ,2-二氮烯生成的四亚甲基-d2 是 k(裂解)/k(闭合) = 2.2 ± 0.2 和 k(旋转)/k(闭合) = 12 ± 3。一个额外的立体特异性裂解成分 (46%) 叠加在 1发现了来自母体四氢哒嗪的 ,4-双自由基途径 (54%)，类似于在 3,4-二甲基-3,4,5,6-四氢哒嗪 ermal 反应中观察到的。最后，母体
• [EN] DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS<br/>[FR] COMPOSÉS D'ARYLSULFONAMIDE À LIAISONS DIAMINO-ALKYLAMINO PRÉSENTANT UNE ACTIVITÉ SÉLECTIVE DANS LES CANAUX SODIQUES SENSIBLES À LA TENSION
  申请人：MERCK SHARP & DOHME

  公开号：WO2018093694A1

  公开（公告）日：2018-05-24

  Disclosed are compounds of Formula A, or a salt thereof: Formula (A), wherein: Het, Q and R1A to R4A are defined herein, which compounds have properties for blocking Nav 1.7 ion channels found in peripheral and sympathetic neurons. Also described are pharmaceutical formulations comprising the compounds of Formula A or their salts, and methods of treating cough, itch, acute pain and neuropathic pain disorders using the same.

  揭示了化合物A的化学式，或其盐：化学式（A），其中：Het、Q和R1A到R4A在此处有定义，这些化合物具有阻断周围和交感神经元中发现的Nav 1.7离子通道的特性。还描述了包含化合物A或其盐的药物配方，以及使用它们治疗咳嗽、瘙痒、急性疼痛和神经病症疼痛的方法。