1-氟环己烯 | 694-51-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 中文名称: 1-氟环己烯
• 英文名称: 1-fluorocyclohexene
• 英文别名: 1-fluoro-cyclohexene；fluorocyclohexene；1-Fluor-cyclohexen-1；1-Fluor-cyclohexen
• CAS: 694-51-9
• 化学式: C₆H₉F
• 分子量: 100.136
• InChiKey: JHJLETSOSKVZGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 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-氟环己烯 在 aluminum(III) fluoride 、 氧气 作用下， 反应 0.08h， 生成 氟苯
  参考文献：
  名称：

  Mechanistic Studies on Fluorobenzene Synthesis from 1,1-Difluorocyclohexane via Pd-Catalyzed Dehydrofluoro–Dehydrogenation

  摘要：

  研究了 1,1-二氟环己烷脱氢氟化合成氟苯的化学反应性和反应机理。在钯和金属氟化物催化剂存在下，1,1-二氟环已烷与分子氧反应生成氟苯，产率良好。该反应以 1,1-二氟环己烷的脱氢氟化为唯一中间产物，生成 1-氟环己烯，然后进行氧化脱氢反应。本系统可选择性地合成氟苯。

  DOI：

  10.1246/bcsj.20100270
• 作为产物：
  描述：

  环己烯-1-基硼酸 在 sodium hydroxide 、 silver trifluoromethanesulfonate 、 Selectfluor 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 1.75h， 以65%的产率得到1-氟环己烯
  参考文献：
  名称：

  Fluorination of Boronic Acids Mediated by Silver(I) Triflate

  摘要：

  A regiospecific Ag-mediated fluorination reaction of aryl- and alkenylboronic acids and esters is reported. The fluorination reaction uses commercially available reagents, does not require the addition of exogenous ligands, and can be performed on a multigram scale. This report discloses the first practical reaction sequence from arylboronic acid to aryl fluorides.

  DOI：

  10.1021/ol901113t

文献信息

• [EN] FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE<br/>[FR] COMPOSÉS DE FLUORO-PERHEXILINE ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：UNIV ABERDEEN

  公开号：WO2014184561A1

  公开（公告）日：2014-11-20

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain fluoro-perhexiline compounds of the following formula (also referred to herein as FPER compounds) that are useful, for example, in the treatment of disorders (e.g., diseases) including, for example, those which are known to be treated with, or known to be treatable with, perhexiline, including, for example, disorders that are ameliorated by the inhibition of carnitine palmitoyltransferase (CPT); cardiovascular disorders such as: angina pectoris; heart failure (HF); ischaemic heart disease (IHD); cardiomyopathy; cardiac dysrhythmia; stenosis of a heart valve; hypertrophic cardiomyopathy (HCM); coronary heart disease; and other disorders, for example, diabetes and cancer. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, for example, in therapy.

  本发明一般涉及治疗化合物领域。更具体地，本发明涉及以下式（在本文中也称为FPER化合物）的某些氟代perhexiline化合物，例如用于治疗包括已知可用perhexiline治疗或已知可用perhexiline治疗的紊乱（例如疾病），包括通过抑制肉碱棕榈酰基转移酶（CPT）改善的紊乱，如：心绞痛；心力衰竭（HF）；缺血性心脏病（IHD）；心肌病；心脏心律失常；心脏瓣膜狭窄；肥厚型心肌病（HCM）；冠心病；以及其他疾病，例如糖尿病和癌症。本发明还涉及包括这些化合物的药物组合物，以及这些化合物和组合物的用途，例如在治疗中的用途。
• Process for producing alpha, alpha-difluorocycloalkane compound
  申请人：——

  公开号：US20030078460A1

  公开（公告）日：2003-04-24

  A method for producing an &agr;,&agr;-difluorocycloalkane at high purity with good efficiency, which comprises a step of treating a fluorocycloalkene with hydrogen fluoride wherein the fluorocycloalkene has one fluorine atom directly bonded to a carbon atom of carbon-carbon unsaturated double bond, more preferably, a step of directly adding the hydrogen fluoride to a reaction mixture obtained by treating the cycloalkanone with the de-oxygen fluorinating agent.

  一种用高纯度和良好效率生产α，α-二氟环烷烃的方法，包括处理氟环烷烯与氢氟酸的步骤，其中氟环烷烯的一个氟原子直接连接到碳-碳不饱和双键的碳原子，更优选地，直接将氢氟酸添加到通过用脱氧氟化剂处理环戊酮得到的反应混合物的步骤。
• Asymmetric Diamine Compounds Containing Two Functional Groups and Polymers Therefrom
  申请人：KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US20150045481A1

  公开（公告）日：2015-02-12

  The present invention relates to a novel diamine compound, wherein two substituents R and R′ are introduced asymmetrically, and a polymer thereof. The polymer may have excellent solubility in the organic solvent and allows for easy processibility after imidization, thus giving proper film maintaining superior properties, such as thermal, mechanical, and optical properties for applications in electrical, electronic, or optical materials.

  本发明涉及一种新型二胺化合物，其中引入了两个不对称的取代基R和R'，以及其聚合物。该聚合物在有机溶剂中具有出色的溶解性，并在酰亚胺化后易于加工，从而形成具有优越热性能、机械性能和光学性能的适用于电气、电子或光学材料的适当薄膜。
• 2,2-Difluoro-1,3-dimethylimidazolidine (DFI). A new fluorinating agentElectronic supplementary information (ESI) available: experimental data. See http://www.rsc.org/suppdata/cc/b2/b204471d/
  作者：Hidetoshi Hayashi、Hiroshi Sonoda、Kouki Fukumura、Teruyuki Nagata

  DOI：10.1039/b204471d

  日期：2002.7.11

  2,2-Difluoro-1,3-dimethylimidazolidine (DFI) is a new deoxo-fluorinating agent that is useful for the conversion of alcohols to monofluorides, and aldehydes/ketones to gemdifluorides under mild conditions.

  2,2-二氟-1,3-二甲基咪唑烷（DFI）是一种新型的脱氧氟化剂，可用于在温和条件下将醇转化为单氟化物，以及将醛/酮转化为双氟化物。
• Dehydrohalogenations of cis- and trans-1-bromo-2-flourocyclohexanes
  作者：M. Hudlicky

  DOI：10.1016/s0022-1139(00)81950-8

  日期：1986.9

  Reactions of both diastereomeric vicinal bromofluorocyclohexanes with sodamide, sodium methoxide, potassium tert-butoxide, and triethylamine were studied. cis-1-Bromo-2-fluorocyclohexane eliminated almost exclusively hydrogen bromide giving mainly 1-fluorocyclohexene and a small amount of 3- fluorocyclohexene. trans-1-Bromo-2-fluorocyclohexane eliminated preferentially hydrogen fluoride on treatment

  研究了两种非对映体邻位溴氟环己烷与苏打酰胺，甲醇钠，叔丁醇钾和三乙胺的反应。顺式-1-溴-2-氟环己烷几乎完全消除了溴化氢，主要产生了1-氟环己烯和少量的3-氟环己烯。反式-1-溴-2-氟环己烷在用酰胺溶液处理时优先消除了氟化氢。钾叔-丁醇钾消除溴化氢，并且得到3- fluorocyclohexene和1,3-环己二烯的量小，而甲醇钠转化反-1-溴-2-氟环己烷为3-氟环己烯和3-甲氧基环己烯。讨论了优先消除氟化氢的可能机理和立体化学，并提供了新的解释。