三氟甲磺酸戊酯 | 41029-43-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 三氟甲磺酸戊酯
• 英文名称: pentyl triflate
• 英文别名: pentyl trifluoromethanesulfonate；n-Pentyltriflate
• CAS: 41029-43-0
• 化学式: C₆H₁₁F₃O₃S
• 分子量: 220.213
• InChiKey: ANZRIVVPJRPJII-UHFFFAOYSA-N

物化性质

• 沸点：
  186.6±35.0 °C(Predicted)
• 密度：
  1.285±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  三氟甲磺酸戊酯 在 甲醇 、 sodium azide 、 Dowex 50WX₂(H⁺) 作用下， 反应 1.0h， 生成 2,3-dideoxy-3-<(5-methyl-4-pentoxy-2-pyrimidinyl)oxy>-α-D-xylofuranosyl azide
  参考文献：
  名称：

  N- versus O-Alkylation of 2,3'-anhydrothymidine: reaction of the obtained pyrimidinium salts with azide ion

  摘要：

  Reaction of 5'-O-(thexyldimethylsilyl)anhydrothymidine (1) with O-(mesitylenesulfonyl)hydroxylamine and CH3OTf generates the pyrimidinium salts 3a and 3b which react with azide ion to give the N3-substituted AZT derivatives 4a and 4b, respectively. In contrast, alkylation of 1 with pentyl triflate occurs at both the N3 and 04 positions leading, after treatment with NaN3, to the expected AZT analog 4d and the novel 3-substituted 2,3-dideoxyxylofuranosyl azide 7d. In a further study, the extent to which competing 04-alkylation occurs was found to be sensitive to steric factors, increasing in the order MeOTf < EtOTf < pentyl OTf < i-PrOTf. Formation of the alternate 04-alkylated AZT derivatives 9 via an intramolecular Hilbert-Johnson process was not observed in these reactions. It was demonstrated, however, that reaction of the intermediate O4-alkylated pyridinium salt 6c with Me4NCl does evolve toward the corresponding C-3' chloro compound 14c. Reaction of 1 with the less reactive alkylating agent (EtO)2P(O)CH2OTf is more complicated producing the O-alkylated product 7f and the novel dimer 19.

  DOI：

  10.1021/jo00063a021
• 作为产物：
  描述：

  1-碘戊烷 在 silver trifluoromethanesulfonate 作用下， 以 苯 为溶剂， 以0.785 g (82%)的产率得到三氟甲磺酸戊酯
  参考文献：
  名称：

  Preparation of aliphatic perchlorates and of trifluoromethane sulfonates

  摘要：

  通过在苯中将相应的银盐与一次脂肪烃卤化物在约5度C至约50度C的温度下反应，主要形成主要一次脂肪烃酸高氯酸盐和三氟乙烷磺酸盐。主要一次脂肪烃酸高氯酸盐和三氟甲磺酸盐是优秀的胺、醇和硝基醇的烷基化试剂。

  公开号：

  US04165332A1

文献信息

• Integrase inhibitors
  申请人：Cai R. Zhenhong

  公开号：US20080058315A1

  公开（公告）日：2008-03-06

  Tricyclic compounds, protected intermediates thereof, and methods for inhibition of HIV-integrase are disclosed.

  三环化合物，其受保护的中间体，以及用于抑制HIV整合酶的方法被披露。
• [EN] METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS<br/>[FR] PROCEDES DE TRAITEMENT D'AMYLOIDOSE UTILISANT DES INHIBITEURS DE PROTEASE ASPARTYLE
  申请人：ELAN PHARM INC

  公开号：WO2005070407A1

  公开（公告）日：2005-08-04

  The invention relates to acetyl 2-hydroxy-1,3-diaminospirocyclohexanes and derivatives thereof that are useful in treating diseases, disorders, and conditions associated with amyloidosis. Amyloidosis refers to a collection of diseases, disorders, and conditions associated with abnormal deposition of A-beta protein.

  这项发明涉及乙酰2-羟基-1,3-二氨基螺环己烷及其衍生物，可用于治疗与淀粉样变性相关的疾病、疾病和症状。淀粉样变性是指与A-beta蛋白异常沉积相关的一系列疾病、疾病和症状。
• Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors
  申请人：John Varghese

  公开号：US20060014737A1

  公开（公告）日：2006-01-19

  The invention relates to novel compounds and methods of treating diseases, disorders, and conditions associated with amyloidosis. Amyloidosis refers to a collection of diseases, disorders, and conditions associated with abnormal deposition of A-beta protein.

  这项发明涉及新型化合物和治疗与淀粉样变性相关的疾病、紊乱和症状的方法。淀粉样变性指与A-beta蛋白异常沉积相关的一系列疾病、紊乱和症状。
• [EN] SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS<br/>[FR] QUINAZOLINES SUBSTITUÉES PAR UNE SULFOXIMINE DESTINÉES À DES COMPOSITIONS PHARMACEUTIQUES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2015169677A1

  公开（公告）日：2015-11-12

  The application relates to novel sulfoximine substituted quinazoline derivatives of formula (I) wherein Ar, R1, R2 and R3 are as defined in the description and claims, and their use as MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) kinase inhibitors, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment or amelioration of MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) mediated disorders.

  该申请涉及式(I)的新型磺酰胺取代喹唑啉衍生物，其中Ar、R1、R2和R3如描述和声明中所定义，并且它们作为MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）激酶抑制剂的用途，含有相同化合物的药物组合物，以及将其用作治疗或改善MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）介导的疾病的药剂的方法。
• Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists
  申请人：Failli A. Amedeo

  公开号：US20060199806A1

  公开（公告）日：2006-09-07

  This invention provides pyrrolobenzodiazepine arylcarboxamides selected from those of Formula (1), which act as follicle stimulating hormone receptor antagonists, as well as pharmaceutical compositions and methods of treatment

  这项发明提供了从式（1）中选择的吡咯苯并二氮杂环芳基甲酰胺，其作为促卵泡生成激素受体拮抗剂，以及药物组合物和治疗方法。