1-溴-7-氟庚烷 | 334-42-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 中文名称: 1-溴-7-氟庚烷
• 中文别名: 1-氟-7-溴庚烷
• 英文名称: 1-bromo-7-fluoroheptane
• 英文别名: 1-bromo-7-fluoro-heptane；1-Brom-7-fluor-heptan
• CAS: 334-42-9
• 化学式: C₇H₁₄BrF
• 分子量: 197.091
• InChiKey: DMJNARQTYULDEB-UHFFFAOYSA-N

物化性质

• 密度：
  1.2240 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  9
• 可旋转键数：
  6
• 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

• 作为反应物：
  描述：

  1-溴-7-氟庚烷 在 sodium hydroxide 、 三丁基膦 、 sodium hydride 、 1,1'-azodicarbonyl-dipiperidine 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 生成 (2-{2-[4-(7-Fluoro-heptyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl]-ethoxy}-phenyl)-acetic acid
  参考文献：
  名称：

  Benzoxazinones as PPARγ Agonists. 2. SAR of the Amide Substituent and In Vivo Results in a Type 2 Diabetes Model

  摘要：

  A series of benzoxazinones has been synthesized and tested for PPARgamma agonist activity. Synthetic approaches were developed to provide either racemic or chiral compounds. In vitro functional potency could be measured through induction of the aP2 gene, a target of PPARgamma. These studies revealed that compounds with large aliphatic chains at the nitrogen of the benzoxazinone were the most potent. Substitution of the chain was tolerated and in many cases enhanced the in vitro potency of the compound. Select compounds were further tested for metabolic stability, oral bioavailability in rats, and efficacy in db/db mice after 11 days of dosing. In vivo analysis with 13 and 57 demonstrated that the series has potential for the treatment of type 2 diabetes.

  DOI：

  10.1021/jm0301888
• 作为产物：
  描述：

  7-溴-1-庚醇 在 二乙胺基三氟化硫 作用下， 反应 4.0h， 生成 1-溴-7-氟庚烷
  参考文献：
  名称：

  Benzoxazinones as PPARγ Agonists. 2. SAR of the Amide Substituent and In Vivo Results in a Type 2 Diabetes Model

  摘要：

  A series of benzoxazinones has been synthesized and tested for PPARgamma agonist activity. Synthetic approaches were developed to provide either racemic or chiral compounds. In vitro functional potency could be measured through induction of the aP2 gene, a target of PPARgamma. These studies revealed that compounds with large aliphatic chains at the nitrogen of the benzoxazinone were the most potent. Substitution of the chain was tolerated and in many cases enhanced the in vitro potency of the compound. Select compounds were further tested for metabolic stability, oral bioavailability in rats, and efficacy in db/db mice after 11 days of dosing. In vivo analysis with 13 and 57 demonstrated that the series has potential for the treatment of type 2 diabetes.

  DOI：

  10.1021/jm0301888

文献信息

• TOXIC FLUORINE COMPOUNDS: XIX. ω-FLUOROALKYNES
  作者：F. L. M. Pattison、R. E. A. Dear

  DOI：10.1139/v63-380

  日期：1963.10.1

  Some ω-fluoroalkynes have been prepared and shown to be valuable intermediates in the synthesis of rare long-chain ω-fluoro compounds; successful representative reactions, in all of which the C—F bond remained intact, included Grignard reactions, partial and total catalytic hydrogenation, halogenation, and miscellaneous coupling reactions.

  一些 ω-氟炔已被制备出来，并被证明是合成稀有长链 ω-氟化合物的有价值的中间体；成功的代表性反应包括格氏反应、部分和全部催化氢化、卤化和杂项偶联反应，其中 C-F 键保持完整。
• Antiarrhythmic (S)-enantiomers of methanesulfonamides
  申请人：Pharmacia & Upjohn Company

  公开号：US05874475A1

  公开（公告）日：1999-02-23

  Compounds of formula (I) and pharmacologically acceptable salts thereof wherein: n is 1 to 3, R is an alkyl, R.sub.1 is hydrogen or alkyl, R.sub.2 is alkyl, R.sub.3 is an alkyl; b) alkyl substituted with an aryl, heteroaryl or cycloalkyl; c) alkyl substituted with one to eight fluorine atoms; d) cycloalkyl; e) alkenyl; f) alkyl substituted with one to three hydroxy, acyloxy or alkoxy substituents, and where the sum of carbons in R.sub.2 and R.sub.3 is greater than five br where R.sub.2 and R.sub.3 with the nitrogen atom form a saturated heterocyclic group having one nitrogen and form 4-8 carbon atoms or a 4-substituted piperazine group in which the 4-substituent can be alkyl, aryl, benzyl, or heteroaryl, and X is hydrogen, hydroxy, alkoxy, alkyl, carbon trifluoride or a halogen, or compounds of formula (I') and pharmacologically acceptable salts thereof wherein: n is 1 to 3, R is an alkyl, R.sub.1 is hydrogen or alkyl, R.sub.2 is an alkyl, R.sub.3 is an alkyl substituted with an aryl, heteroaryl or cycloalkyl, or an alkyl substituted with one to eight fluorine atoms, one to three hydroxy, acyloxy or alkoxy substituents, and where the sum of carbons in R.sub.2 and R.sub.3 is greater than five; X is hydrogen, hydroxy, alkoxy, alkyl, carbon trifluoride or a halogen, useful as class III antiarrhythmic agents.

  式（I）的化合物及其药理学上可接受的盐，其中：n为1至3，R为烷基，R.sub.1为氢或烷基，R.sub.2为烷基，R.sub.3为烷基；b）烷基与芳基，杂环烷基或环烷基取代；c）烷基取代一个至八个氟原子；d）环烷基；e）烯烃基；f）烷基取代一个至三个羟基，乙酰氧基或烷氧基取代基，其中R.sub.2和R.sub.3中碳的总和大于五br，其中R.sub.2和R.sub.3与氮原子形成一个饱和的杂环基，含有一个氮原子并形成4-8个碳原子，或者形成一个4-取代哌嗪基团，其中4-取代基可以是烷基，芳基，苄基或杂环基，X为氢，羟基，烷氧基，烷基，三氟甲基或卤素，或者式（I'）的化合物及其药理学上可接受的盐，其中：n为1至3，R为烷基，R.sub.1为氢或烷基，R.sub.2为烷基，R.sub.3为烷基，取代一个芳基，杂环烷基或环烷基，或者取代一个至八个氟原子，一个至三个羟基，乙酰氧基或烷氧基取代基，其中R.sub.2和R.sub.3中碳的总和大于五；X为氢，羟基，烷氧基，烷基，三氟甲基或卤素，作为III类抗心律失常药物。
• Antiarrhythmic methanesulfonamides
  申请人：The Upjohn Company

  公开号：US05405997A1

  公开（公告）日：1995-04-11

  Methanesulfonamides are structurally depicted by Formula I' ##STR1## or its pharmacologically acceptable salts where R.sub.3 is a C.sub.1-7 alkyl substituted with C.sub.3-7 cycloalkyl, or a C.sub.1-10 alkyl substituted with one to eight fluorine atoms, one to three hydroxy, one to three C.sub.1-5 acyloxy or one to three C.sub.1-4 alkoxy substituents. These compounds are useful as Class III antiarrhythmic agents and are stable against rapid metabolism. Methods for treating cardiac arrhythmias with the compounds of Formula I' as well as compositions thereof are also described.

  甲磺酰胺类化合物结构如式I所示：##STR1##或其药理学上可接受的盐，其中R3为被C3-7环烷基取代的C1-7烷基，或被一至八个氟原子、一至三个羟基、一至三个C1-5酰氧基或一至三个C1-4烷氧基取代的C1-10烷基。这些化合物作为III类抗心律失常药物具有用途，并且对快速代谢稳定。还描述了使用式I化合物及其组合物治疗心律失常的方法。
• NOVEL METHOD FOR PREPARING AMINOSILANE-BASED COMPOUND
  申请人：LG Chem, Ltd.

  公开号：US20180282353A1

  公开（公告）日：2018-10-04

  The present invention provides a novel method for preparing an aminosilane-based compound, by which an aminosilane-based compound used for preparing a modified and conjugated diene-based polymer which shows excellent affinity with an inorganic filler in a rubber composition and increases dispersibility, may be prepared in high purity and high yield.

  本发明提供了一种新型的制备氨基硅烷基化合物的方法，通过该方法可以制备出用于制备改性和共轭二烯基聚合物的氨基硅烷基化合物，该聚合物在橡胶组合物中与无机填料具有优异的亲和性，并提高了分散性，可以高纯度和高产率地制备。
• [EN] ANTIARRHYTHMIC (S)-ENANTIOMERS OF METHANESULFONAMIDES<br/>[FR] ENANTIOMERES (S) DE METHANE-SULFONAMIDES ANTIARYTHMIQUES
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：WO1996021643A1

  公开（公告）日：1996-07-18

  (EN) (S)-Enantiomeric methanesulfonamides are structurally depicted by formula (I) or its pharmacologically acceptable salts where R3 is a C1-9 alkyl substituted with one fluorine atom. These compounds are useful as Class III antiarrhythmic agents without the undesirable side effect of polymorphic ventricular tachycardia (PVT) and are stable against rapid metabolism. Use of the compounds of formula (I) in the preparation of compositions for treating cardiac arrhythmias are also described.(FR) Méthane-sulfonamides énantiomères (S) décrits, au point de vue de la structure, par la formule (I) ou les sels pharmacologiquement acceptables du composé décrit par celle-ci, où R3 est un alkyle en C1-C9 substitué avec un atome de fluor. Ces composés sont utiles en tant qu'agents antiarythmiques de classe III n'ayant pas l'effet secondaire indésirable qu'est la tachycardie ventriculaire polymorphe et sont stables vis-à-vis d'un métabolisme rapide. L'invention décrit également l'utilisation desdits composés de formule (I) dans des préparations servant au traitement d'arythmies cardiaques.

  （EN）（S）-对映甲磺酰胺的结构式如公式（I）或其药学上可接受的盐所示，其中R3是一个C1-9烷基，被一个氟原子取代。这些化合物可用作III类抗心律失常药物，不会产生多形性室性心动过速（PVT）的不良副作用，并且稳定不易被迅速代谢。本发明还描述了将公式（I）化合物用于制备治疗心律失常的组合物的用途。 （FR）（S）-对映甲磺酰胺的结构式如公式（I）或其药学上可接受的盐所示，其中R3是一个C1-9烷基，被一个氟原子取代。这些化合物可用作III类抗心律失常药物，不会产生多形性室性心动过速（PVT）的不良副作用，并且稳定不易被迅速代谢。本发明还描述了将公式（I）化合物用于制备治疗心律失常的组合物的用途。