14874-70-5 (四氟代硼酸根,Borate(1-),tetrafluoro-)

快速询单

结构式：

四氟代硼酸根MOL文件

CAS号：

14874-70-5

中文名称：

四氟代硼酸根

英文名称：

Borate(1-),tetrafluoro-

分子式：

BF₄

分子量：

86.8046140670776

四氟代硼酸根(14874-70-5)名称与标识符

名称

中文别名：

四氟代硼酸根;

英文别名：

Borate(1-),tetrafluoro-;tetrafluoroborate;BF4(-);Fluoborate;PC1553;tetrafluoridoborate(1-);tetrafluoridoborate(III);Tetrafluoroborat;BF4 anion;Borate,tetrafluoro-;tetrafluoroborate(1-);Tetrafluoroboronanion;fluoroborate;tetrafluroborate;14874-70-5;tetrafluoroboranuide;TETRAFLUOROBORATE ANION;BDBM26993;CHEMBL1789400;TETRAFLUOROBORATE (BF41-);Q27118029;BF4;tetrafluoroborate ion;Diethylammonium tetrafluoroborate;61674-41-7;4YCF3545OY;ODGCEQLVLXJUCC-UHFFFAOYSA-N;CHEBI:38899;Hydrogen Tetrafluoroborate(1-) (48% solution in H2O);fluorborate;17085-33-5;[BF4](-);BF4-;Borate(1-), tetrafluoro-;

标识符

InChIKey：

ODGCEQLVLXJUCC-UHFFFAOYSA-N

Inchi：

1S/BF4/c2-1(3,4)5/q-1

SMILES：

F[B-](F)(F)F

四氟代硼酸根(14874-70-5)物化性质

实验特性

LogP : 1.30000
PSA : 0.00000

计算特性

精确分子量 : 88.01070
氢键供体数量 : 0
氢键受体数量 : 5
可旋转化学键数量 : 0
同位素质量 : 87.002918
重原子数量 : 5
复杂度 : 19.1
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
拓扑分子极性表面积 : 0

四氟代硼酸根(14874-70-5)合成路线

合成路线：1 步

_86%

反应条件：

1.1 Reagents: Ammonium tetrafluoroborate Solvents: Dimethylformamide ; 10 min, 150 °C

参考文献：

Rapid Continuous-Flow Water-Free Synthesis of Ultrapure Ionic Liquids Assisted by Microwaves

Cao, Lei; et al, Organic Process Research & Development (2022, Organic Process Research & Development (2022), 26(1), 207-214, 26(1), 207-214

合成路线：2 步

1072-63-5

14874-70-5

45534-45-0

反应条件：

1.1 Catalysts: Azobisisobutyronitrile Solvents: Dimethylformamide ; 24 h, 70 °C
2.1 Reagents: Ammonium tetrafluoroborate Solvents: Dimethylformamide ; 10 min, 150 °C

参考文献：

Rapid Continuous-Flow Water-Free Synthesis of Ultrapure Ionic Liquids Assisted by Microwaves

Cao, Lei; et al, Organic Process Research & Development (2022, Organic Process Research & Development (2022), 26(1), 207-214, 26(1), 207-214

合成路线：1 步

_85%

反应条件：

1.1 Solvents: Dichloromethane ; overnight, rt
1.2 2 d, rt
1.3 Solvents: Methanol , Triethyl orthoformate ; overnight, 100 °C

参考文献：

Efficient N-Heterocyclic Carbene-Catalyzed O- to C-Acyl Transfer

Thomson, Jennifer E.; Rix, Kathryn; Smith, Andrew D., Organic Letters, 2006, 8(17), 3785-3788

合成路线：1 步

_84%

反应条件：

1.1 Reagents: Trimethyloxonium tetrafluoroborate Solvents: Dichloromethane ; 24 h, rt
1.2 24 h, rt
1.3 Solvents: Chlorobenzene ; 24 h, 120 °C

参考文献：

Rerouting the Organocatalytic Benzoin Reaction toward Aldehyde Deuteration

Gadekar, Santosh C.; Dhayalan, Vasudevan; Nandi, Ashim; Zak, Inbal L.; Mizrachi, Meital Shema; et al, ACS Catalysis, 2021, 11(23), 14561-14569

合成路线：1 步

_84%

反应条件：

1.1 Reagents: Trimethyloxonium tetrafluoroborate Solvents: Dichloromethane ; 24 h, rt
1.2 24 h, rt
1.3 Solvents: Chlorobenzene ; 24 h, 120 °C

参考文献：

Rerouting an organocatalytic reaction by intercepting its reactive intermediates

Gadekar, Santosh C.; Dhayalan, Vasudevan; Nandi, Ashim; Zak, Inbal L.; Barkai, Shahar; et al, ChemRxiv, 2020, 1, 1-9

合成路线：1 步

_79%

反应条件：

1.1 Solvents: Dichloromethane ; overnight, rt
1.2 overnight, rt
1.3 Reagents: Triethyl orthoformate Solvents: Methanol ; overnight, reflux

参考文献：

From Furfural to Fuel: Synthesis of Furoins by Organocatalysis and their Hydrodeoxygenation by Cascade Catalysis

Wegenhart, Benjamin L.; Yang, Linan; Kwan, Soon Cheong; Harris, Remi; Kenttaemaa, Hilkka I.; et al, ChemSusChem, 2014, 7(9), 2742-2747

合成路线：1 步

_73%

反应条件：

1.1 Reagents: Trimethyloxonium tetrafluoroborate Solvents: Dichloromethane ; overnight, rt
1.2 2 d, rt
1.3 Solvents: Methanol ; overnight, 100 °C

参考文献：

Selective Synthesis of Acylated Cross-Benzoins from Acylals and Aldehydes via N-Heterocyclic Carbene Catalysis

Onodera, Kou; Takashima, Ryo; Suzuki, Yumiko, Organic Letters, 2021, 23(11), 4197-4202

合成路线：1 步

_71%

反应条件：

1.1 Reagents: Trimethyloxonium tetrafluoroborate Solvents: Dichloromethane ; overnight, rt
1.2 2 d, rt
1.3 Solvents: Methanol ; overnight, 100 °C

参考文献：

Probing the Efficiency of N-Heterocyclic Carbene Promoted O- to C-Carboxyl Transfer of Oxazolyl Carbonates

Thomson, Jennifer E.; Campbell, Craig D.; Concellon, Carmen; Duguet, Nicolas; Rix, Kathryn; et al, Journal of Organic Chemistry, 2008, 73(7), 2784-2791

合成路线：1 步

_70%

反应条件：

1.1 Solvents: Dichloromethane ; 24 h, rt
1.2 48 h, rt
1.3 Reagents: Triethyl orthoformate Solvents: Methanol ; overnight, rt → reflux

参考文献：

A model β-sheet interaction and thermodynamic analysis of β-strand mimetics

Robinson, Colin W.; Rye, Carl S.; Chessum, Nicola E. A.; Jones, Keith, Organic & Biomolecular Chemistry, 2015, 13(27), 7402-7407

合成路线：1 步

_60%

反应条件：

1.1 Solvents: Dichloromethane ; overnight, rt
1.2 Reagents: (Pentafluorophenyl)hydrazine ; 24 h, rt
1.3 Reagents: Triethyl orthoformate Solvents: Methanol , Chlorobenzene ; overnight, 120 °C

参考文献：

N-heterocyclic carbene-catalyzed direct cross-aza-benzoin reaction: efficient synthesis of α-amino-β-keto esters

Uno, Takuya; Kobayashi, Yusuke; Takemoto, Yoshiji, Beilstein Journal of Organic Chemistry, 2012, 8, 1499-1504

合成路线：1 步

_57%

反应条件：

1.1 Reagents: Trimethyloxonium tetrafluoroborate Solvents: Dichloromethane ; 18 h, rt
1.2 18 h, rt
1.3 Solvents: Toluene ; 48 h, reflux

参考文献：

N-Heterocyclic Carbene-Catalyzed Annulation of α-Cyano-1,4-diketones with Ynals

Romanov-Michailidis, Fedor; Besnard, Celine; Alexakis, Alexandre, Organic Letters, 2012, 14(18), 4906-4909

合成路线：1 步

_51%

反应条件：

1.1 Reagents: Trimethyloxonium tetrafluoroborate Solvents: Dichloromethane ; overnight, rt
1.2 5 d, rt
1.3 overnight, 100 °C

参考文献：

NHC Catalysis for Umpolung Pyridinium Alkylation via Deoxy-Breslow Intermediates

Wu, Terence; Tatton, Matthew R.; Greaney, Michael F., Angewandte Chemie, 2022, 61(15),

合成路线：1 步

_44%

反应条件：

1.1 Solvents: Dichloromethane ; overnight, rt
1.2 2 d, rt
1.3 Reagents: Tetrafluoroboric acid Solvents: Methanol ; overnight, reflux

参考文献：

N-Heterocyclic Carbene Acyl Anion Organocatalysis by Ball-Milling

Nicholson, William I.; Seastram, Alex C.; Iqbal, Saqib A.; Reed-Berendt, Benjamin G.; Morrill, Louis C.; et al, ChemSusChem, 2020, 13(1), 131-135

合成路线：1 步

_39%

反应条件：

1.1 Reagents: Trimethyloxonium tetrafluoroborate Solvents: Dichloromethane ; 18 h, rt
1.2 overnight, rt
1.3 Solvents: Toluene ; 48 h, reflux

参考文献：

The impact of cation structure upon the acidity of triazolium salts in dimethyl sulfoxide

Konstandaras, Nicholas; Dunn, Michelle H.; Guerry, Max S.; Barnett, Christopher D.; Cole, Marcus L.; et al, Organic & Biomolecular Chemistry, 2020, 18(1), 66-75

合成路线：1 步

反应条件：

1.1 Solvents: Triethyl orthoformate ; 24 - 48 h, reflux

参考文献：

The Role of the Fused Ring in Bicyclic Triazolium Organocatalysts: Kinetic, X-ray, and DFT Insights

Zhu, Jiayun ; Moreno, Inmaculada; Quinn, Peter; Yufit, Dmitry S.; Song, Lijuan; et al, Journal of Organic Chemistry, 2022, 87(6), 4241-4253

合成路线：1 步

_94%

反应条件：

1.1 Reagents: Sodium hydroxide Solvents: Acetonitrile ; 2 h, 80 °C

参考文献：

Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes

Lazreg, Faima; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J., Organometallics, 2015, 34(2), 419-425

合成路线：1 步

_94%

反应条件：

1.1 Solvents: Acetonitrile ; 1 h, 80 °C

参考文献：

Heteroleptic Bis(N-heterocyclic carbene)Copper(I) Complexes: Highly Efficient Systems for the [3+2] Cycloaddition of Azides and Alkynes

Lazreg, Faima; Slawin, Alexandra M. Z.; Cazin, Catherine S. J., Organometallics, 2012, 31(22), 7969-7975

合成路线：1 步

250285-32-6

_92%

14874-70-5

886061-46-7

反应条件：

1.1 Reagents: Sodium tert-butoxide , Tetrakis(acetonitrile)copper(1+) tetrafluoroborate Solvents: Tetrahydrofuran ; 6 h, rt

参考文献：

Cationic Copper(I) Complexes as Efficient Precatalysts for the Hydrosilylation of Carbonyl Compounds

Diez-Gonzalez, Silvia; Scott, Natalie M.; Nolan, Steven P., Organometallics, 2006, 25(9), 2355-2358

合成路线：1 步

_85%

反应条件：

1.1 Reagents: Sodium hydroxide , Copper , Oxygen ; 5 h, rt

参考文献：

Cu(0), O2 and mechanical forces: a saving combination for efficient production of Cu-NHC complexes

Beillard, Audrey; Metro, Thomas-Xavier; Bantreil, Xavier; Martinez, Jean; Lamaty, Frederic, Chemical Science, 2017, 8(2), 1086-1089

合成路线：1 步

_100%

反应条件：

1.1 Reagents: Triphenylphosphine , Diisopropyl azodicarboxylate Solvents: Acetonitrile ; 15 h, rt

参考文献：

An efficient protocol for the preparation of pyridinium and imidazolium salts based on the Mitsunobu reaction

Petit, Sylvain; Azzouz, Rabah; Fruit, Corinne; Bischoff, Laurent; Marsais, Francis, Tetrahedron Letters, 2008, 49(22), 3663-3665

合成路线：1 步

_100%

反应条件：

1.1 Solvents: Hexane ; 10 min, -78 °C; -78 °C → rt

参考文献：

Allyl-functionalised ionic liquids: synthesis, characterisation, and reactivity

Zhao, Dongbin; Fei, Zhaofu; Geldbach, Tilmann J.; Scopelliti, Rosario; Laurenczy, Gabor; et al, Helvetica Chimica Acta, 2005, 88(3), 665-675

合成路线：1 步

_98%

反应条件：

1.1 Solvents: Acetonitrile ; 0 °C; 24 - 48 h, 30 °C
1.2 Reagents: Sodium tetrafluoroborate Solvents: Acetone ; 24 h, rt

参考文献：

Synthesis and properties of ionic liquids: imidazolium tetrafluoroborates with unsaturated side chains

Min, Gwan-Hong; Yim, Taeeun; Lee, Hyun Yeong; Huh, Dal Ho; Lee, Eunjoo; et al, Bulletin of the Korean Chemical Society, 2006, 27(6), 847-852

合成路线：1 步

_97%

反应条件：

1.1 Reagents: Tetrafluoroboric acid Solvents: Water ; 0 °C; 1 h, 0 °C → rt
1.2 10 min, 150 °C

参考文献：

Rapid Continuous-Flow Water-Free Synthesis of Ultrapure Ionic Liquids Assisted by Microwaves

Cao, Lei; Kim, Hong Won; Jeong, Yu Jin; Han, Seung Chang; Park, Jin Kyoon, Organic Process Research & Development, 2022, 26(1), 207-214

合成路线：1 步

_96%

反应条件：

1.1 Reagents: Ammonium tetrafluoroborate ; 22 h, 110 °C

参考文献：

A general and direct synthesis of imidazolium ionic liquids using orthoesters

Kim, Do Joong; Oh, Kyung Hwan; Park, Jin Kyoon, Green Chemistry, 2014, 16(9), 4098-4101

合成路线：1 步

65039-10-3

_85%

14874-70-5

98806-09-8

反应条件：

1.1 Reagents: Sodium tetrafluoroborate Solvents: Dichloromethane ; 12 h, 25 °C

参考文献：

Direct Synthesis of Imidazolium-Functional Polyethylene by Insertion Copolymerization

Jian, Zhongbao; Leicht, Hannes; Mecking, Stefan, Macromolecular Rapid Communications, 2016, 37(11), 934-938

合成路线：1 步

65039-10-3

14874-70-5

98806-09-8

反应条件：

1.1 Reagents: Tetrafluoroboric acid ; 2 h, rt

参考文献：

Polymeric ionic liquid modified silica for CO2 adsorption and diffusivity

Sun, Yachai; Zhu, Jiamei; Huang, Junhua; Xin, Feng; Liu, Jingxia, Polymer Composites, 2017, 38(4), 759-766

合成路线：1 步

65039-10-3

14874-70-5

98806-09-8

反应条件：

1.1 Reagents: Sodium borohydride Solvents: Acetone ; 24 h, rt

参考文献：

Preparation of ionic liquids containing unsaturated double bonds for use in cellulose dissolving and derivatizing

, China, , ,

合成路线：1 步

_21%

反应条件：

1.1 Solvents: Acetonitrile ; 3 - 6 h, rt; 2 - 5 h, rt

参考文献：

Arene Amination Instead of Fluorination: Substitution Pattern Governs the Reactivity of Dialkoxybenzenes with Selectfluor

Capilato, Joseph N. ; et al, Journal of Organic Chemistry, 2021, 86(8), 5771-5777

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459-45-0(4-氟重氮苯四氟硼酸盐) 80365-01-1((2-ethoxy-3-methoxybenzyl)amine(SALTDATA: HCl)) 80373-22-4(Quinpirole) 80403-94-7(Ethanone, 1-(3-chloro-5-isoxazolyl)- (9CI)) 80405-17-0(（2S）-2-（{[（1R，7aR）-1-（乙酰氧基）-2,3,5,7a-四氢-1H-吡咯嗪-7-基]甲氧基}羰基）-2-羟基-1,3-二甲基丁基（2E）-2-甲基丁-2-烯酸酯) 80405-18-1(（1S，2S）-2-羟基-2-（{[（1R，7aR）-1-羟基-2,3,5,7a-四氢-1H-吡咯嗪-7-基]甲氧基}羰基）-1,3-二甲基丁基（2E）-2-甲基丁-2-烯酸酯) 79781-00-3(compound 80-53) 803736-82-5(5-溴-2,6-二氯喹啉)

14874-70-5 (四氟代硼酸根,Borate(1-),tetrafluoro-)

四氟代硼酸根(14874-70-5)名称与标识符

名称

标识符

四氟代硼酸根(14874-70-5)物化性质

实验特性

计算特性

四氟代硼酸根(14874-70-5)合成路线

四氟代硼酸根(14874-70-5)相关文献

目录