4-methyl-2-pentyl fluoride | 62127-32-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 4-methyl-2-pentyl fluoride
• 英文别名: 2-fluoro-4-methylpentane
• CAS: 62127-32-6
• 化学式: C₆H₁₃F
• 分子量: 104.168
• InChiKey: BYHGATRUPQLTMH-UHFFFAOYSA-N

物化性质

• 熔点：
  -103.67°C (estimate)
• 沸点：
  87.88°C (estimate)
• 密度：
  0.8125 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-甲基-2-戊醇 在 1,1-二氟-N,N,2,2-四甲基-1-丙胺 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以57%的产率得到4-methyl-2-pentyl fluoride
  参考文献：
  名称：

  Fluorierungsreagenzien und Verfahren zu deren Herstellung

  摘要：

  这项发明涉及α,α-二氟胺，含有α,α-二氟胺的氟化试剂，以及制备α,α-二氟胺和含有α,α-二氟胺的氟化试剂的方法。

  公开号：

  EP1437342A3

文献信息

• Process for producing fluoro-compounds
  申请人：Kondo Norihisa

  公开号：US20090030228A1

  公开（公告）日：2009-01-29

  The present invention provides a process for producing highly pure fluoro-compounds by making use of less costly and readily handleable N-(2-chloro-1,1,2-trifluoroethyl)diethylamine. The process produces little or no chlorinated by-products. Specifically the present invention provides a process for producing a fluoro-compound, comprising fluorinating an alcohol derivative represented by the following general formula (1): R 1 R 2 R 3 COH  (1) (wherein R 1 represents a hydrogen atom, a substituted or unsubstituted alkyl group, aryl group, alkylcarbonyl group, alkoxycarbonyl group, arylcarbonyl group or aryloxycarbonyl group; and R 2 and R 3 are each independently a substituted or unsubstituted alkyl group, aryl group, alkylcarbonyl group, alkoxycarbonyl group, arylcarbonyl group or aryloxycarbonyl group, wherein at least two of R 1 , R 2 and R 3 may together form part of a ring structure, either with or without a heteroatom) with N,N-diethyl-2-chloro-1,1,2-trifluoroethylamine to form a fluoro-compound represented by the following general formula (2): R 1 R 2 R 3 CF  (2) (wherein R 1 , R 2 and R 3 are as defined above), the process being characterized in that an alcohol derivative represented by the following general formula (3): R 4 OH  (3) (wherein R 4 represents a substituted or unsubstituted alkyl group or aryl group) is added to the reaction system.

  本发明提供了一种利用成本较低且易于处理的N-(2-氯-1,1,2-三氟乙基)二乙胺生产高纯度氟化合物的方法。该方法几乎不产生氯化副产物。具体而言，本发明提供了一种生产氟化合物的方法，包括将由下述通式(1)表示的醇衍生物进行氟化：R1R2R3COH (其中R1代表氢原子、取代或未取代的烷基、芳基、烷基羰基、烷氧羰基、芳基羰基或芳氧羰基；R2和R3分别独立地代表取代或未取代的烷基、芳基、烷基羰基、烷氧羰基、芳基羰基或芳氧羰基，其中R1、R2和R3中的至少两个可以共同形成环结构，带有或不带有杂原子)与N,N-二乙基-2-氯-1,1,2-三氟乙基胺反应，形成由下述通式(2)表示的氟化合物：R1R2R3CF (其中R1、R2和R3如上所定义)，其特征在于向反应体系中加入由下述通式(3)表示的醇衍生物：R4OH (其中R4代表取代或未取代的烷基或芳基)。
• Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements
  申请人：CONCAT, LTD. a California Limited Partnership

  公开号：US20040006055A1

  公开（公告）日：2004-01-08

  Compounds that demonstrate chelation affinity and selectivity for first transition series elements are administered to patients suffering from such conditions as ischemia, prolonged seizures and trauma to provide neuroprotection, cardioprotection, or both. These compounds when administered form complexes with chelatable iron and copper cations and thereby mitigate the ability of these cations to catalyze Haber-Weiss reactions that form toxic hydroxy free radicals that cause tissue injury. These compounds also form complexes with chelatable zinc cations thereby inhibiting the cytotoxicity associated with excess chelatable zinc.

  表现出对第一过渡系列元素具有螯合亲和力和选择性的化合物被用于治疗患有缺血、持续性癫痫和创伤等疾病的患者，以提供神经保护、心脏保护或两者兼而有之。这些化合物在被给药时会与可螯合的铁和铜阳离子形成络合物，从而减轻这些阳离子催化哈伯-魏斯反应的能力，这些反应会产生导致组织损伤的有毒羟自由基。这些化合物还会与可螯合的锌阳离子形成络合物，从而抑制与过多可螯合锌相关的细胞毒性。
• [EN] SUBSTITUTED PYRIDINES<br/>[FR] PYRIDINES SUBSTITUÉES
  申请人：GOSSAMER BIO SERVICES INC

  公开号：WO2021237121A1

  公开（公告）日：2021-11-25

  Compounds having the structure of Formula (I) or pharmaceutically acceptable isomers, racemates, hydrates, solvates or salts thereof, where A, R1, R2a, R2b, R2c and R3 are as defined herein, are useful in the modulation of IL-12, IL-23 and/or IFNα by acting on TYK2 to cause signal transduction inhibition, as well as to pharmaceutical compositions containing the same and to methods of their use and preparation.

  具有公式(I)结构或其药学上可接受的异构体、外消旋体、水合物、溶剂化物或盐的化合物，其中A、R1、R2a、R2b、R2c和R3的定义如本文所述，可用于通过作用于TYK2以引起信号转导抑制来调节IL-12、IL-23和/或IFNα，以及包含它们的制药组合物和使用和制备它们的方法。
• Compounds with chelation affinity and selectivity for first transition series elements and their use in cosmetics and personal care products, inhibition of metalloenzymes, and inhibition of reperfusion injury
  申请人：——

  公开号：US20010041170A1

  公开（公告）日：2001-11-15

  This invention involves the use of a class of compounds with chelation affinity and selectivity for first transition series elements. Application or administration of the free or conjugated compound, or physiological salts of the free or conjugated compound, results in decrease of the bioavailability and/or chemical action of first transition series elements. These characteristics make such compounds useful in cosmetics and personal care products to decrease odor arising from microbial growth on body surfaces and in body cavities, decrease microbial growth on teeth, plaque, and gums that cause tooth decay and gum disease, inhibition of oxidative damage to the skin, inhibition of enzymatic action of metalloenzymes dependent on first transition series elements, and inhibition of reperfusion injury.

  这项发明涉及使用一类对第一过渡系列元素具有螯合亲和力和选择性的化合物。应用或给予自由或结合化合物，或自由或结合化合物的生理盐，可导致第一过渡系列元素的生物利用度和/或化学作用降低。这些特性使得这些化合物在化妆品和个人护理产品中非常有用，可减少身体表面和身体腔内微生物生长引起的气味，减少导致牙齿蛀牙和牙龈疾病的牙菌斑和牙龈微生物生长，抑制皮肤氧化损伤，抑制依赖于第一过渡系列元素的金属酶的酶促作用，以及抑制再灌注损伤。
• FLUORINATING REAGENTS AND THEIR PREPARATION
  申请人：EBENBECK WOLFGANG

  公开号：US20100036119A1

  公开（公告）日：2010-02-11

  The present invention relates to α,α-difluoroamines, fluorinating reagents comprising α,α-difluoroamines and also processes for preparing α,α-difluoroamines and fluorinating reagents comprising α,α-difluoroamines.

  本发明涉及α,α-二氟胺、包含α,α-二氟胺的氟化试剂以及制备α,α-二氟胺和包含α,α-二氟胺的氟化试剂的方法。