1,1-二氟辛烷 | 61350-03-6

• 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: 1,1-二氟辛烷
• 英文名称: 1,1-difluorooctane
• 英文别名: 1,1-difluoro-octane；1,1-Difluoroctan
• CAS: 61350-03-6
• 化学式: C₈H₁₆F₂
• 分子量: 150.212
• InChiKey: DVQDTBDVUIXQMV-UHFFFAOYSA-N

物化性质

• 沸点：
  171.43°C (rough estimate)
• 密度：
  0.9210 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  10
• 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：
  2

反应信息

• 作为反应物：
  描述：

  1,1-二氟辛烷 在 E_. coli-alkane hydroxylase whole-cell system 作用下， 反应 3.0h， 以43%的产率得到8,8-difluorooctan-1-ol
  参考文献：
  名称：

  Regio-selective hydroxylation of gem-difluorinated octanes by alkane hydroxylase (AlkB)

  摘要：

  gem-Difluoromethylene substituted molecules constitute a distinct class of fluorinated compounds. In this study, special chemistry has been developed for their preparation based on the highly selective terminal hydroxylation of these gem-difluorinated octanes by AlkB (alkane hydroxylase) from Pseudomonas putida Gpo1 to form gem-difluorinated octan-1-ols. The hydroxylation reaction is performed by whole-cell catalysis. Identification of the distal- and proximal-hydroxylation products was made by H-1, C-13, and F-19 NMR; GC and GC/MSD; and/or by comparison with authentic standards in GC. To the best of our knowledge, we have obtained the first synthesis of 2,2-, 3,3- and 4,4-difluorooctan-1-ols, from simple and inexpensive starting materials. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.101
• 作为产物：
  描述：

  1,1-difluorooctane 在 potassium fluoride 、 四丁基硫酸氢铵 、 三苯基氟化锡 作用下， 以 二氯甲烷 为溶剂， 反应 30.0h， 以50%的产率得到1,1-二氟辛烷
  参考文献：
  名称：

  Synthesis of 1,1-Difluoroalkanes via Phase Transfer Catalysed Reaction of 1,1-bis-Triflates with KF in the Presence of Cocatalyst - Ph₃SnF

  摘要：

  1,1-双三氟甲基化合物在三苯基氟化锡和四丁基氨基氢硫酸盐存在下用KF处理可以得到1,1-二氟烷烃。

  DOI：

  10.1055/s-2002-32959

文献信息

• Tuning the Regio- and Stereoselectivity of CH Activation in n-Octanes by Cytochrome P450 BM-3 with Fluorine Substituents: Evidence for Interactions Between a CF Bond and Aromatic π Systems
  作者：Li-Lan Wu、Chung-Ling Yang、Feng-Chun Lo、Chih-Hsiang Chiang、Chun-Wei Chang、Kok Yaoh Ng、Ho-Hsuan Chou、Huei-Ying Hung、Sunney I. Chan、Steve S.-F. Yu

  DOI：10.1002/chem.201003631

  日期：2011.4.18

  n‐octane oxidation. In addition, the alanine at residue 328 was replaced with a phenylalanine to introduce an aromatic residue into the hydrophobic pocket to examine whether or not van der Waals interactions between a CF substituent in the substrate and the polarizable π system of the phenylalanine may be used to steer the positioning of the substrate within the active‐site pocket of the enzyme and control

  我们采用水溶性细胞色素P450 BM-3来研究氟化正辛烷的氧化活性和区域特异性。P450 BM-3中引入了三个突变，即A74G，F87V和L188Q，以使系统进行正辛烷氧化。此外，在残基328位的丙氨酸与苯丙氨酸引入芳族残基到疏水口袋替换，以检查是否范德瓦一个C之间耳斯相互作用底物中的F取代基和苯丙氨酸的可极化π系统可用于控制底物在酶活性位点内的定位，并控制羟基化的区域选择性和立体选择性。有趣的是，不仅可以明智地控制氟取代基在底物中的区域选择性，而且输入铁-血红素基团的电子与产物的形成紧密结合，基本上没有任何流产的副反应。观察电子输入和产物形成之间的耦合效率的显着提高了范围在所述酶的氟化辛烷的即使没有A328F突变，因为C的相互作用的推测活性位兜内具有卟啉大环π系统的F取代基。显然，紧固含有血红素口袋的蛋白质结构域调谐访问酶构象的分布以及激活卟啉铁为基底羟化，以允许由高价铁介导的反应的相关蛋白动力学IV
• [EN] LIPOPHILIC ANALOGS OF CJ-16264, METHODS OF USE, AND SYNTHESIS THEREOF<br/>[FR] ANALOGUES LIPOPHILES DE CJ-16264, MÉTHODES D'UTILISATION ET SYNTHÈSE DE CEUX-CI
  申请人：UNIV RICE WILLIAM M

  公开号：WO2017100514A1

  公开（公告）日：2017-06-15

  In one aspect, the present disclosure provides compounds and derivatives of CJ-16,264 of the formula (I) wherein the variables are as defined herein. The application also provides compositions, methods of treatment, and methods of synthesis thereof. In some embodiments, these compounds are used in the treatment of bacterial infections or in the treatment of cancer.

  在一个方面，本公开提供了CJ-16,264的化合物和衍生物，其化学式为（I），其中变量如本文所定义。该申请还提供了组合物、治疗方法以及合成方法。在某些实施例中，这些化合物被用于治疗细菌感染或癌症的治疗。
• Process for preparing sil acyclohexane-based liquid crystal compounds from silacyclohexanone compounds
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：EP0765880A1

  公开（公告）日：1997-04-02

  Silacyclohexane-based liquid crystal compounds are prepared from a cyclohexanone compound of the following general formula (I) wherein Ar represents a phenyl group or a tolyl group, and R represents a phenyl group, a tolyl group, a linear alkyl group having from 1 to 10 carbon atoms, a mono or difluoroalkyl group having from 1 to 10 carbon atoms, a branched alkyl group having from 3 to 8 carbon atoms or an alkoxyalkyl group having from 2 to 7 carbon atoms, and also from organolithium reagents, followed by hydrogenolysis or hydrogenation after dehydration, with or without further reaction with organometal reagents, and then to de-silylation and reduction.

  基于硅环己烷的液晶化合物是从以下通用式(I)的环己酮化合物制备而成，其中Ar代表苯基或甲苯基，R代表苯基、甲苯基、具有1至10个碳原子的直链烷基、具有1至10个碳原子的单氟或二氟烷基、具有3至8个碳原子的支链烷基或具有2至7个碳原子的烷氧基烷基，然后从有机锂试剂制备，随后脱水后进行氢解或氢化，可以选择进一步与有机金属试剂反应，然后进行脱硅和还原。
• Radiation-sensitive resin composition
  申请人：——

  公开号：US20020009668A1

  公开（公告）日：2002-01-24

  A radiation-sensitive resin composition comprising an acid-labile group-containing resin and a photoacid generator is disclosed. The resin has a structure of the formula (1), 1 wherein R 1 represents a hydrogen atom, a monovalent acid-labile group, an alkyl group having 1-6 carbon atoms which does not have an acid-labile group, or an alkylcarbonyl group having 2-7 carbon atoms which does not have an acid-labile group, X 1 represents a linear or branched fluorinated alkyl group having 1-4 carbon atoms, and R 2 represents a hydrogen atom, a linear or branched alkyl group having 1-10 carbon atoms, or a linear or branched fluorinated alkyl group having 1-10 carbon atoms. The resin composition exhibits high transmittance of radiation, high sensitivity, resolution, and pattern shape, and is useful as a chemically amplified resist in producing semiconductors at a high yield.

  公开了一种辐射敏感的树脂组合物，包括一个含有酸敏感基团的树脂和一个光酸发生剂。该树脂的结构式为(1)，其中R1代表氢原子、一价酸敏感基团、不含酸敏感基团的1-6个碳原子的烷基或不含酸敏感基团的2-7个碳原子的烷基酰基，X1代表线性或支链的含有1-4个碳原子的氟化烷基，R2代表氢原子、含有1-10个碳原子的线性或支链烷基，或含有1-10个碳原子的线性或支链氟化烷基。该树脂组合物表现出辐射的高透过率、高敏感度、分辨率和图案形状，可用于在高产率下生产半导体中的化学放大图案。
• COMPOUNDS AND METHODS OF TREATING METABOLIC SYNDROME AND INFLAMMATION
  申请人：Nestor John J.

  公开号：US20080139455A1

  公开（公告）日：2008-06-12

  Novel compounds, compositions comprising compounds, and methods for preparing and using compounds are described herein. Methods of treating or ameliorating various conditions, including insulin resistance, pancreatic beta cell apoptosis, obesity, pro-thrombotic conditions, myocardial infarction, hypertension, dyslipidemia, manifestations of Syndrome X, congestive heart failure, inflammatory disease of the cardiovascular system, atherosclerosis, restenosis, sepsis, type 1 diabetes, liver damage, and cachexia, by administering compounds described herein. Compounds presented herein may be used to modulate serine palmitoyltransferase activity.

  本文描述了新型化合物、包含化合物的组合物以及制备和使用化合物的方法。本文还描述了使用化合物治疗或改善各种疾病的方法，包括胰岛素抵抗、胰岛β细胞凋亡、肥胖症、促凝血状态、心肌梗死、高血压、血脂异常、X综合征表现、充血性心力衰竭、心血管系统炎症性疾病、动脉硬化、再狭窄、败血症、1型糖尿病、肝损伤和消瘦症。本文所述的化合物可用于调节丝氨酸棕榈酰转移酶活性。