1-氟-3-(4-甲基苯基)苯 | 72093-42-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-氟-3-(4-甲基苯基)苯
• 中文别名: 4'-甲基-3-氟联苯
• 英文名称: 3-fluoro-4'-methylbiphenyl
• 英文别名: 3-fluoro-4'-methyl-1,1'-biphenyl；1-fluoro-3-(4-methylphenyl)benzene
• CAS: 72093-42-6
• 化学式: C₁₃H₁₁F
• mdl: MFCD06802331
• 分子量: 186.229
• InChiKey: BGVOIDLAUFLERQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 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-3-(4-甲基苯基)苯 在 碘 、 碘酸 、 sodium thiosulfate 、 溶剂黄146 作用下， 以 四氯化碳 、 水 为溶剂， 生成 3-fluoro-4-iodo-4'-methylbiphenyl
  参考文献：
  名称：

  Tetracyclic compound having lateral halogen substituent and liquid crystal composition comprising the same

  摘要：

  一种四环化合物，其由以下通用公式（1）表示，其中H1到H12代表氢原子，其中至少一个被卤素原子取代，当H6或H8中的一个被卤素原子取代时，其余氢原子中至少有一个被卤素原子取代；R1和Y1分别代表具有1至20个碳原子的烷基基团、烷氧基团或烷氧基烷基团，或具有2至20个碳原子的烯基基团，R1和Y1中的一个或多个亚甲基基团可被氧原子、硫原子、二氢硅基基团、二甲基硅基基团、—CH═CH—或—C≡C—取代；X1、X2和X3分别表示共价键、1,2-乙烯基团或1,4-丁烯基团；以及一种新型液晶组合物，包括该四环化合物，同时具有宽的向列相温度范围、高的光学各向异性和高的化学稳定性。

  公开号：

  US06174458B1
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 180.0 ℃ 、5.33 Pa 条件下， 反应 0.25h， 生成 1-氟-3-(4-甲基苯基)苯
  参考文献：
  名称：

  Brune, Hans-Albert; Hess, Reiner; Schmidtberg, Guenther, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1984, vol. 39, # 12, p. 1772 - 1780

  摘要：

  DOI：

文献信息

• Pd-catalyzed cross-coupling reactions of arenediazonium salts with arylsilanes and aryltrifluoroborates in water
  作者：Kai Cheng、Baoli Zhao、Sai Hu、Xian-Man Zhang、Chenze Qi

  DOI：10.1016/j.tetlet.2013.09.001

  日期：2013.11

  Pd-catalyzed cross-coupling reactions of various arenediazonium salts with ArSi(OR)3 and KArBF3 have been achieved in good to excellent yields under simple aerobic conditions in water at room temperature. The functional group tolerance makes these transformations as attractive alternatives to the traditional cross-coupling approaches. Furthermore, the sequence can also be performed in a one-pot domino

  在简单的好氧条件下，在室温下于水中将各种芳族重氮鎓盐与ArSi（OR）3和KArBF 3进行Pd催化的交叉偶联反应，得到的产率高至优。官能团的耐受性使这些转化成为传统交叉偶联方法的诱人替代品。此外，该序列也可以在一锅多米诺骨牌过程中进行，省去了中间芳烃重氮盐的分离。
• Suzuki coupling with ligandless palladium and potassium fluoride
  作者：George W. Kabalka、Vasudevan Namboodiri、Lei Wang

  DOI：10.1039/b101470f

  日期：——

  A ligandless palladium catalyzed Suzuki coupling reaction is described.

  一种无配体的钯催化的Suzuki偶联反应被描述。
• Nickel(0)/Tetra-<i>n</i>-butylammonium Bromide (TBAB) Catalyzed Suzuki-Miyaura Reaction
  作者：Lei Wang、Erli You、Pinhua Li

  DOI：10.1055/s-2006-926424

  日期：2006.5

  A nickel(0)/tetra-n-butylammonium bromide (TBAB) catalyzed Suzuki-Miyaura reaction of aryl iodides and bromides with organoboronic acids was developed under phosphine-free reaction conditions. The reaction involved the use of ethanol as solvent, sodium carbonate as base, and nickel metal colloids stabilized by TBAB as catalyst. For activated aryl chlorides, excellent yields of the products were isolated when PPh3 was added to the reaction. Furthermore, the nickel metal could be recovered and recycled for six consecutive trials without significant loss of its reactivity.

  在无膦反应条件下，开发了一种以四丁基溴化铵（TBAB）为催化剂的镍（0）催化的Suzuki-Miyaura反应，该反应涉及碘代和溴代芳烃与有机硼酸的反应。该反应采用乙醇作为溶剂，碳酸钠作为碱，TBAB稳定的镍金属胶体作为催化剂。对于活化的氯代芳烃，当向反应中加入PPh3时，产物的收率极佳。此外，镍金属可以回收并在连续六次试验中循环使用，其反应活性无显著损失。
• Assessment and use of two silicon carbide multi-well plates for library synthesis and proteolytic digests using microwave heating
  作者：Lauren M. Stencel、Chad M. Kormos、Keri B. Avery、Nicholas E. Leadbeater

  DOI：10.1039/b902112d

  日期：——

  The use of two silicon carbide plates is reported for the preparation of three libraries of organic molecules using microwave heating. In addition, a preliminary study has been carried out, showing that one of the plates can also be used in a proteomics setting. Both the 24-position and 48-position plates heated evenly when irradiated with microwave energy. The 48-position plate was used to prepare a library of N-aryl functionalized β-amino esters via an aza-Michael reaction between anilines and Michael acceptors. The 24-position plate was used to prepare a library of biaryls via a Suzuki coupling methodology and a library of 1,4-dihydropyridines via a Hantzsch synthesis. The 48-position plate was also used to perform the proteolytic digestion of insulin chain B by trypsin.

  报道了使用两个碳化硅板通过微波加热制备三种有机分子库的方法。此外，还进行了初步研究，表明其中一个板材也可用于蛋白质组学环境。两个板材在微波辐射下均能均匀加热，即24位板和48位板。48位板被用于通过苯胺与迈克尔受体之间的氮迈克尔反应制备N-芳基功能化的β-氨基酯库。24位板被用于通过铃木偶联方法制备联苯库，以及通过汉奇合成制备1,4-二氢吡啶库。48位板还用于通过胰蛋白酶对胰岛素B链进行蛋白水解消化。
• Cyclohexene derivative having alkenyl, liquid crystal composition and liquid crystal display device
  申请人：Shimada Teru

  公开号：US20080063814A1

  公开（公告）日：2008-03-13

  A liquid crystal compound selected from a group of compounds represented by formula (a): wherein Ra and Rb are each independently hydrogen, alkyl having 1 to 10 carbons or alkenyl having 2 to 10 carbons, provided that in the alkyl, —CH 2 — may be replaced by —O—, but plural —O— are not adjacent to each other, and hydrogen may be replaced by fluorine; ring A 1 and ring A 2 are each independently trans-1,4-cyclohexylene or 1,4-phenylene, provided that one or two hydrogens of the 1,4-phenylene may be replaced by halogen, and in a 6-membered ring of these groups, one —CH 2 — or two —CH 2 — that are not adjacent to each other may be replaced by —O—, and one or two —CH═ may be replaced by —N═; Z 1 and Z 2 are each independently a single bond, —(CH 2 ) 2 —, —(CH 2 ) 4 —, —CH═CH—, —C≡—, —CH 2 O—, —OCH 2 —, —COO—, —OCO— or —OCF 2 —; l and m are each independently 0, 1 or 2, provided that l+m is 0, 1, 2 or 3; and n is an integer of from 0 to 6, provided that in —(CH 2 ) n —, —CH 2 — may be replaced by —O—, but plural —O— are not adjacent to each other, and hydrogen may be replaced by fluorine.

  从由式（a）表示的化合物组中选择的液晶化合物： 其中Ra和Rb分别独立地是氢、具有1至10个碳的烷基或具有2至10个碳的烯基，前提是在烷基中，-CH2-可以被-O-替换，但多个-O-不相邻，氢可以被氟替换；环A1和环A2分别独立地是反-1,4-环己烯基或1,4-苯基，前提是1,4-苯基的一个或两个氢可以被卤素替换，在这些基团的6元环中，一个不相邻的-CH2-或两个不相邻的-CH2-可以被-O-替换，一个或两个-CH═可以被-N═替换；Z1和Z2分别独立地是单键，-(CH2)2-，-(CH2)4-，-CH═CH-，-C≡-，-CH2O-，-OCH2-，-COO-，-OCO-或-OCF2-；l和m分别独立地是0、1或2，前提是l+m为0、1、2或3；n是0至6的整数，前提是在-(CH2)n-中，-CH2-可以被-O-替换，但多个-O-不相邻，氢可以被氟替换。