(R)-(-)-4-Hydroxy-2,2-dimethyl-3-pentanone | 124089-61-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (R)-(-)-4-Hydroxy-2,2-dimethyl-3-pentanone
• 英文别名: (4R)-4-Hydroxy-2,2-dimethylpentan-3-one
• CAS: 124089-61-8
• 化学式: C₇H₁₄O₂
• 分子量: 130.187
• InChiKey: CLDPAGCOQSJLSP-RXMQYKEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  2
• 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

• 作为产物：
  描述：

  2,2-二甲基-3-戊酮 在 (+)-(2S,8aS)-(camphorylsulfonyl)oxaziridine 、 sodium hexamethyldisilazane 作用下， 生成 (S)-(+)-4-hydroxy-2,2-dimethyl-3-pentanone 、 (R)-(-)-4-Hydroxy-2,2-dimethyl-3-pentanone
  参考文献：
  名称：

  氧氮杂环丙烷化学。14. 使用对映体纯的（樟脑磺酰基）恶氮丙啶对酮烯醇化物进行不对称氧化

  摘要：

  Le mecanisme 通过 un etat de transition «ouvert» 遇到 en jeu une 取代 SN2 型 de l'anion enolate sur l'oxaziridine

  DOI：

  10.1021/ja00174a035

文献信息

• FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF
  申请人：SHANGHAI YINGLI PHARMACEUTICAL CO., LTD

  公开号：US20160214994A1

  公开（公告）日：2016-07-28

  Disclosed are a fused pyrimidine compound, an intermediate, a preparation method therefor, and a composition and an application thereof. The present invention provides a fused pyrimidine compound shown in formula I, pharmaceutically acceptable salt, hydrate, solvate, and an optical isomer or prodrug of the compound. The present invention further provides applications of the fused pyrimidine compound shown in formula I, the pharmaceutically acceptable salt, the hydrate, solvate, and the optical isomer or the prodrug of the compound in the preparing drugs for curing and/or preventing a kinase-related disease. The fused pyrimidine compound I of the present invention is an efficient PI3 kinase depressor, and can be used to prepare drugs for preventing and/or curing cell-proliferation diseases such as cancer, infection, inflammation, and an autoimmune disease.

  揭示了一种融合嘧啶化合物，其中间体，制备方法以及其组成和应用。本发明提供了一种如式I所示的融合嘧啶化合物，该化合物的药用可接受盐，水合物，溶剂合物，以及光学异构体或前药。本发明还提供了应用式I所示的融合嘧啶化合物，药用可接受盐，水合物，溶剂合物，以及该化合物的光学异构体或前药在制备用于治疗和/或预防激酶相关疾病的药物中。本发明的融合嘧啶化合物I是一种高效的PI3激酶抑制剂，可用于制备用于预防和/或治疗细胞增殖性疾病，如癌症，感染，炎症和自身免疫疾病的药物。
• PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES
  申请人：Wrobleski Stephen T.

  公开号：US20140011800A1

  公开（公告）日：2014-01-09

  The present invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The formula I compounds inhibit tyrosine kinase activity of JAK3, thereby making them useful for the treatment of inflammatory and autoimmune diseases.

  本发明提供了I型化合物及其药学上可接受的盐。式I化合物抑制JAK3的酪氨酸激酶活性，因此可用于治疗炎症和自身免疫性疾病。
• BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US20150336984A1

  公开（公告）日：2015-11-26

  Disclosed are a benzoxazine oxazolidinone compound shown by a general formula (I), an optical isomer thereof or a pharmaceutically acceptable salt thereof, a preparation method thereof, and an application thereof in preparing a drug for treating an infectious disease and in particular, an infectious disease caused by multidrug resistant bacteria.

  本发明涉及一种由通式(I)表示的苯并噁唑噁唑烷化合物、其光学异构体或其药学上可接受的盐，其制备方法以及其在制备治疗感染病的药物中的应用，特别是在治疗多重耐药细菌引起的感染病中的应用。
• Chemistry of oxaziridines. 18. Synthesis and enantioselective oxidations of the [(8,8-dihalocamphoryl)sulfonyl]oxaziridines
  作者：Franklin A. Davis、Michael C. Weismiller、Christopher K. Murphy、R. Thimma Reddy、Band Chi Chen

  DOI：10.1021/jo00052a050

  日期：1992.12

  The synthesis and enantioselective oxidations of [(8,8-dihalocamphoryl)sulfonyl]oxaziridines [8,8-dichloro-1,7,7-trimethyl-2'-(phenylsulfonyl)spiro[bicyclo[2.2.1]heptane-2,3'-oxazinidine]] 13 are reported. These reagents are prepared in two steps from the (camphorylsulfonyl)imine 4 by treatment of the corresponding azaenolate with electrophilic halogen sources followed by biphasic oxidation of the resulting dihalo imine 6-9 with m-CPBA/K2CO3. Of these oxaziridines the dichloro reagent 13b, available on a multigram scale, affords the highest enantioselectivities for the asymmetric oxidation of sulfides to sulfoxides (42-74%) and for the hydroxylation of enolates (often better than 95% ee). In general the molecular recognition is predicted and explained in terms of minimization of nonbonded steric interactions the transition states. For the asymmetric oxidation of sulfides to sulfoxides, secondary electronic factors related to the polarity of the sulfide and oxaziridine also play a role. Definitive evidence for chelation of the metal enolate with the C-X bond in 13 is not found. The molecular recognition is interpreted in terms of the higher reactivity of the reagents and an active-site structure which is sterically complementary with the enolate. For the asymmetric hydroxylation of the Z- and E-enolates of propiophenone (16a), the Z-enolate exhibits much higher stereoselectivity than the E-enolate: >95% vs 22% ee.
• LINKED DIBENZIMIDAZOLE ANTIVIRALS
  申请人：ENANTA PHARMACEUTICALS, INC

  公开号：US20130295049A1

  公开（公告）日：2013-11-07

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.