2-Hexyl-laevulinsaeure-ethylester | 13268-87-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 2-Hexyl-laevulinsaeure-ethylester
• 英文别名: 2-Hexyl-4-oxo-valeriansaeure-ethylester；Ethyl 2-(2-oxopropyl)octanoate
• CAS: 13268-87-6
• 化学式: C₁₃H₂₄O₃
• 分子量: 228.332
• InChiKey: XKNGDCIOVIAUDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Hexyl-laevulinsaeure-ethylester 在 sodium hydroxide 作用下， 生成 2-(2-oxopropyl)octanoic acid
  参考文献：
  名称：

  Lawesson,S.-O. et al., Acta Chemica Scandinavica (1947), 1962, vol. 16, p. 1191 - 1198

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Acetyl-3-hexyl-butandisaeure-(1,4)-tert.-butyl-(1)-ethyl-(4)-diester 在 对甲苯磺酸 作用下， 生成 2-Hexyl-laevulinsaeure-ethylester
  参考文献：
  名称：

  Lawesson,S.-O. et al., Acta Chemica Scandinavica (1947), 1962, vol. 16, p. 1191 - 1198

  摘要：

  DOI：

文献信息

• CONJUGATES OF SYNTHETIC TLR AGONISTS AND USES THEREFOR
  申请人：Carson Dennis A.

  公开号：US20120148660A1

  公开（公告）日：2012-06-14

  The invention provides TLR agonists and conjugates thereof useful in vaccines and to prevent, inhibit or treat a variety of disorders including pathogen infection and asthma.

  这项发明提供了TLR激动剂及其共轭物，可用于疫苗，并用于预防、抑制或治疗各种疾病，包括病原体感染和哮喘。
• METHOD FOR PRODUCING 3-SUBSTITUTED-4-FLUOROPYRROLIDINE DERIVATIVE
  申请人：Suzuki Masashi

  公开号：US20130085282A1

  公开（公告）日：2013-04-04

  An inexpensive and industrially advantageous method for producing optically active syn-3-(N-substituted-aminomethyl)-4-fluoropyrrolidine which may be an intermediate for producing pharmaceuticals is provided. The present invention relates a method for producing a syn-1-protected-4-fluoro-3-(N-substituted-N-nitrobenzenesulfonyl)pyrrolidine derivative or it's enantiomer, or their salts comprising the process of fluorinating a compound represented by the general formula (6) (in the formula, PG 1 represents a protecting group for an amino group, R 1 represents a C1 to C6 alkyl group which may be substituted or a C3 to C8 cycloalkyl group which may be substituted, and Ns represents a 2-nitrobenzenesulfonyl group or a 4-nitrobenzenesulfonyl group) or it's enantiomer using a nucleophilic fluorinating agent and an organic base having an amidine or guanidine structure.

  提供了一种廉价且工业上优势的方法，用于生产光学活性的syn-3-(N-取代氨甲基)-4-氟吡咯烷，该化合物可能是生产药物的中间体。本发明涉及一种生产syn-1-保护的-4-氟-3-(N-取代-N-硝基苯磺酰基)吡咯烷衍生物或其对映体或其盐的方法，包括将通式（6）所代表的化合物（其中，PG1代表氨基的保护基，R1代表可取代的C1到C6烷基或可取代的C3到C8环烷基，Ns代表2-硝基苯磺酰基或4-硝基苯磺酰基）或其对映体使用亲核氟化试剂和具有酰胺或鸟嘌呤结构的有机碱进行氟化的过程。
• Trisubstituted piperazine compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0368670A1

  公开（公告）日：1990-05-16

  Novel trisubstituted piperazine compounds of the formula (I): wherein A is an optionally substituted phenyl group, an optionally substituted condensed polycyclic hydrocarbon group, an optionally substituted hetero-cyclic group or a styryl group of the formula: Ar - CR4 = CRS - wherein Ar is an optionally substituted phenyl group, and R4 and R5 are independently hydrogen or a lower alkyl group, X is methylene group, carbonyl group or thiocarbonyl group, G is a group of the formula: (CH2)nZ-R6 wherein n is an integer of 0 to 2, Z is a chemical bond, 0, S, SO, S02, CO, COO, CONR7 or NR7 (wherein R7 is hydrogen, a lower alkyl group, a lower haloalkyl group, a lower alkenyl group or a lower alkoxycarbonyl group), and R6 is hydrogen, a lower alkyl group, a lower haloalkyl group or a lower alkenyl group, provided that, when n is 0 and Z is chemical bond, R6 is not hydrogen or a lower alkyl group, and R1, R2 and R3 are independently a lower alkyl group, and salts thereof, are useful as a platelet activating factor antagonist.

  公式（I）的新型三取代哌嗪类化合物： 其中A为可选取代的苯基、可选取代的紧缩多环碳氢基、可选取代的杂环基或式Ar-CR4=CRS-的苯乙烯基，其中Ar为可选取代的苯基，R4和R5独立地为氢或较低的烷基，X为亚甲基、羰基或硫代羰基，G为式（CH2）nZ-R6的基团，其中n为0到2之间的整数，Z为化学键、0、S、SO、SO2、CO、COO、CONR7或NR7（其中R7为氢、较低的烷基、较低的卤代烷基、较低的烯基或较低的烷氧羰基基团），R6为氢、较低的烷基、较低的卤代烷基或较低的烯基，但当n为0且Z为化学键时，R6不为氢或较低的烷基，且R1、R2和R3独立地为较低的烷基。此外，该化合物及其盐可用作血小板活化因子拮抗剂。
• [EN] THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE<br/>[FR] COMPOSÉS THÉRAPEUTIQUES ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：SPROTT KEVIN

  公开号：WO2013103993A1

  公开（公告）日：2013-07-11

  Salinomycin analogs and pharmaceutically acceptable compositions containing salinomycin analogs. Dosage forms and kits comprising salinomycin analogs and pharmaceutically acceptable compositions containing salinomycin analogs. Methods of using salinomycin analogs, pharmaceutically acceptable compositions, dosage forms, and kits for the treatment of proliferative diseases, e.g., cancer, or microbial infections in a subject

  萨利诺霉素类似物及含有萨利诺霉素类似物的药物可接受组成物。包含萨利诺霉素类似物的剂型和套件以及含有萨利诺霉素类似物的药物可接受组成物。使用萨利诺霉素类似物，药物可接受组成物，剂型和套件的方法，用于治疗增生性疾病，如癌症，或受体内微生物感染。
• [EN] SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS<br/>[FR] PYRAZOLES SUBSTITUES UTILISES COMME INHIBITEURS DE LA KINASE p38
  申请人：SEARLE & CO

  公开号：WO2000031063A1

  公开（公告）日：2000-06-02

  A class of pyrazole derivatives is described for use in treating p38 kinase mediated disorders. Compounds of particular interest are defined by Formula (IA), wherein R?1, R2, R3 and R4¿ are as described in the specification.

  本文描述了一类吡唑衍生物，用于治疗p38激酶介导的疾病。 特别感兴趣的化合物由公式（IA）定义，其中R?1，R2，R3和R4¿如规范中所述。