1-hydroxy-2,2-dimethyl-pentan-3-one | 54625-22-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-hydroxy-2,2-dimethyl-pentan-3-one
• 英文别名: α-Oxy-γ-oxo-β.β-dimethyl-pentan；2.2-Dimethyl-pentanol-(1)-on-(3)；Oxypivalinsaeure-aethylketon；1-Hydroxy-2,2-dimethyl-pentan-3-on；1-Hydroxy-2,2-dimethylpentan-3-one
• CAS: 54625-22-8
• 化学式: C₇H₁₄O₂
• 分子量: 130.187
• InChiKey: HGCQBVFVGNDETR-UHFFFAOYSA-N

物化性质

• 沸点：
  199.5±13.0 °C(Predicted)
• 密度：
  0.938±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-hydroxy-2,2-dimethyl-pentan-3-one 在 羟胺 作用下， 生成 1-hydroxy-2,2-dimethyl-pentan-3-one oxime
  参考文献：
  名称：

  Blaise; Herman, Annales de Chimie (Cachan, France), 1909, vol. <8> 17, p. 377

  摘要：

  DOI：
• 作为产物：
  描述：

  3-ethyl-2,2-dimethyl-3-oxetanol 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 1-hydroxy-2,2-dimethyl-pentan-3-one
  参考文献：
  名称：

  丙酮溶液中醇和烷酮的光解。丙酮与脂肪族烯醇的光化学[2+2]环加成反应

  摘要：

  瞬态烯醇，包括乙醛、丙酮、环戊酮、3-戊酮、2,4-二甲基-3-戊酮、2-丁酮和 2-甲基-3-戊酮的瞬态烯醇，通过 [2+2] 环加成用丙酮进行光化学捕获并在六种不同的仲醇和两种烷酮、3-辛酮和己醛在丙酮溶液中的光解中以合理的产率分离为相应的 3-氧杂环丁烷醇。捕获实验表明，不对称醇、2-丁醇和 2-甲基-3-戊醇在丙酮中的光脱氢具有高度区域选择性，优先形成较少烷基化的烯醇。

  DOI：

  10.1246/bcsj.62.2032

文献信息

• EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE
  申请人：——

  公开号：US20030144523A1

  公开（公告）日：2003-07-31

  This invention relates to the new epothilone derivatives of general formula I, 1 in which substituents Y, Z R 2a , R 2b , R 3 , R 4a , R 4b , D—E, R 5 , R 6 , R 7 , R 8 and X have the meanings that are indicated in more detail in the description. The new compounds interact with tubulin by stabilizing microtubuli that are formed. They are able to influence the cell-splitting in a phase-specific manner and are suitable for treating malignant tumors, for example, ovarian, stomach, colon, adeno-, breast, lung, head and neck carcinomas, malignant melanomas, acute lymphocytic and myelocytic leukemia. In addition, they are suitable for anti-angiogenesis therapy as well as for treatment of chronic inflammatory diseases (psoriasis, arthritis). To avoid uncontrolled proliferation of cells and for better compatibility of medical implants, they can be applied or introduced into polymer materials. The compounds according to the invention can be used alone or to achieve additive or synergistic actions in combination with other principles and classes of substances that can be used in tumor therapy.

  本发明涉及具有通式I的新埃波替隆衍生物，其中取代基Y、Z、R2a、R2b、R3、R4a、R4b、D—E、R5、R6、R7、R8和X的含义在描述中更详细地指出。这些新化合物通过与微管蛋白的相互作用来稳定形成的微管。它们能够以阶段特异性的方式影响细胞分裂，并适用于治疗恶性肿瘤，例如卵巢、胃、结肠、腺体、乳腺、肺、头颈癌、恶性黑色素瘤、急性淋巴细胞和骨髓细胞白血病。此外，它们还适用于抗血管生成治疗以及治疗慢性炎性疾病（银屑病、关节炎）。为了避免细胞的不受控制的增殖以及提高医疗植入物的相容性，它们可以应用于或引入到聚合物材料中。根据发明的化合物可以单独使用，也可以与其他可用于肿瘤治疗的原理和物质类别结合使用，以实现相加或协同作用。
• [EN] COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS<br/>[FR] ASSOCIATIONS D'INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015005901A1

  公开（公告）日：2015-01-15

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组合物，以及抑制NS5A蛋白功能的方法。
• NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE
  申请人：KLAR Ulrich

  公开号：US20090018342A1

  公开（公告）日：2009-01-15

  This invention relates to the new epothilone derivatives of general formula I, in which substituents Y, Z, R 2a , R 2b , R 3 , R 4a , R 4b , D-E, R 5 , R 6 , R 7 , R 8 and X have the meanings that are indicated in the description. The new compounds interact with tubulin by stabilizing microtubuli that are formed. They are able to influence the cell-splitting in a phase-specific manner and are suitable for treating malignant tumors, for example, ovarian, stomach, colon, adeno-, breast, lung, head and neck carcinomas, malignant melanomas, acute lymphocytic and myelocytic leukemia. In addition, they are suitable for anti-angiogenesis therapy as well as for treatment of chronic inflammatory diseases (psoriasis, arthritis). To avoid uncontrolled proliferation of cells and for better compatibility of medical implants, they can be applied or introduced into polymer materials. The compounds according to the invention can be used alone or to achieve additive or synergistic actions in combination with other principles and classes of substances that can be used in tumor therapy.

  本发明涉及一般式I的新的环丙沙星衍生物，其中取代基Y、Z、R2a、R2b、R3、R4a、R4b、D-E、R5、R6、R7、R8和X的含义如说明中所示。这些新化合物通过稳定形成的微管来与微管蛋白相互作用。它们能够以特定的阶段影响细胞分裂，并适用于治疗恶性肿瘤，例如卵巢、胃、结肠、腺癌、乳腺、肺、头颈部癌症、恶性黑色素瘤、急性淋巴细胞性和髓细胞性白血病。此外，它们还适用于抗血管生成治疗以及治疗慢性炎症性疾病（如牛皮癣、关节炎）。为了避免细胞的无控制增殖和更好地兼容医学植入物，它们可以应用或引入到聚合物材料中。本发明的化合物可以单独使用或与其他用于肿瘤治疗的原则和类别的物质相结合以实现加成或协同作用。
• HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS
  申请人：AQUINO Christopher Joseph

  公开号：US20090053172A1

  公开（公告）日：2009-02-26

  The present invention relates to compounds of formula (I), or pharmaceutically acceptable derivatives thereof, useful in the treatment of CCR5-related diseases and disorders, for example, useful in the inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS).

  本发明涉及式(I)化合物或其药学上可接受的衍生物，用于治疗CCR5相关的疾病和障碍，例如，用于抑制HIV复制，预防或治疗HIV感染，并用于治疗由此导致的获得性免疫缺陷综合症（AIDS）。
• INDANE COMPOUNDS AS CCR5 ANTAGONISTS
  申请人：YOUNGMAN Michael

  公开号：US20090187021A1

  公开（公告）日：2009-07-23

  The present invention relates to compounds of formula (I), or pharmaceutically acceptable derivatives thereof, useful in the treatment of CCR5-related diseases and disorders, for example, useful in the inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS).

  本发明涉及式（I）的化合物或其药学上可接受的衍生物，用于治疗CCR5相关的疾病和障碍，例如，用于抑制HIV复制，预防或治疗HIV感染，并用于治疗由此导致的获得性免疫缺陷综合症（AIDS）。