- Zig-Zag Type Molecular Design Strategy of N-Type Hosts for Sky-Blue Thermally-Activated Delayed Fluorescence Organic Light-Emitting DiodesYang, Chang Yoon; Lee, Kyung Hyung; Lee, Jun Yeob, Chemistry - A European Journal, 2020, 26(11), 2429-2435
Cas no 945391-06-0 (3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile)
945391-06-0 structure
Product Name:3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No:945391-06-0
MF:C13H15BClNO2
MW:263.527702569962
MDL:MFCD18072641
CID:2123041
PubChem ID:52988025
Update Time:2024-10-25
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- 2-Chloro-4-cyanophenylboronic Acid Pinacol Ester
- 3-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- SY039456
- AK542533
- 3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (ACI)
- DA-00385
- MFCD18072641
- 945391-06-0
- SCHEMBL10041745
- AKOS027460753
- DS-3280
- Z2049758230
- AC1759
- EN300-7391353
- VMB39106
- 3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
-
- MDL： MFCD18072641
- Inchi： 1S/C13H15BClNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)7-11(10)15/h5-7H,1-4H3
- InChI Key： AGVDMZNQFRCYMD-UHFFFAOYSA-N
- SMILES： N#CC1C=C(Cl)C(B2OC(C)(C)C(C)(C)O2)=CC=1
Computed Properties
- Exact Mass: 263.0884366g/mol
- Monoisotopic Mass: 263.0884366g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 360
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 42.2
Experimental Properties
- Boiling Point: 362.8±32.0℃/760mmHg
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-IY830-50mg |
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
945391-06-0 | 97% | 50mg |
186.0CNY | 2021-07-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-IY830-250mg |
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
945391-06-0 | 97% | 250mg |
898CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-IY830-1g |
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
945391-06-0 | 97% | 1g |
1544.0CNY | 2021-07-13 | |
| Alichem | A019097274-1g |
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
945391-06-0 | 97% | 1g |
$254.40 | 2023-08-31 | |
| Alichem | A019097274-5g |
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
945391-06-0 | 97% | 5g |
$979.20 | 2023-08-31 | |
| Chemenu | CM219310-250mg |
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
945391-06-0 | 95+% | 250mg |
$90 | 2021-08-04 | |
| Chemenu | CM219310-1g |
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
945391-06-0 | 95+% | 1g |
$224 | 2021-08-04 | |
| Chemenu | CM219310-5g |
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
945391-06-0 | 95+% | 5g |
$737 | 2021-08-04 | |
| TRC | C429020-10mg |
3-Chloro-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile |
945391-06-0 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C429020-50mg |
3-Chloro-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile |
945391-06-0 | 50mg |
$ 95.00 | 2022-06-06 |
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ; rt → reflux; 12 h, reflux
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Sodium nitrite , Hydrochloric acid Solvents: Water ; 30 min, 0 °C
1.2 Reagents: Sodium iodide Solvents: Water ; 15 min, 0 °C
1.3 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethyl sulfoxide ; 2 d, 90 °C
1.2 Reagents: Sodium iodide Solvents: Water ; 15 min, 0 °C
1.3 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethyl sulfoxide ; 2 d, 90 °C
Reference
- Synthesis of Ladder-Type π-Conjugated Heteroacenes via Palladium-Catalyzed Double N-Arylation and Intramolecular O-ArylationKawaguchi, Keiko; Nakano, Koji; Nozaki, Kyoko, Journal of Organic Chemistry, 2007, 72(14), 5119-5128
Production Method 3
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ; 8 h, 100 °C
Reference
- Compound including nitrogen and organic electroluminescent device including the nitrogen-containing heterocyclic compounds, United States, , ,
Production Method 4
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Toluene ; 8 h, 110 °C; 110 °C → rt
1.2 Reagents: Water ; 0.5 h, rt
1.2 Reagents: Water ; 0.5 h, rt
Reference
- Preparation of triazine compound for organic light emitting diodes, China, , ,
Production Method 5
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ; 12 h, 80 °C
Reference
- Preparation of condensed ring derivatives for treating hyperuricemia and related diseases, World Intellectual Property Organization, , ,
Production Method 6
Reaction Conditions
1.1 Reagents: Sodium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,2-Dimethoxyethane ; 1 h, 150 °C
Reference
- Bicyclic heterocycle derivatives and methods of use thereof, World Intellectual Property Organization, , ,
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Raw materials
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Preparation Products
3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Related Literature
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
945391-06-0 (3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile) Related Products
- 863868-40-0(Benzonitrile,3,4-dichloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-)
- 863868-19-3(4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile)
- 863868-39-7(Benzonitrile,4,5-dichloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-)
- 548797-51-9(3-Chloro-4-cyanophenylboronic acid pinacol ester)
- 1256781-74-4(2-(2-Chloro-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
- 1165935-87-4(2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile)
- 863868-45-5(Benzonitrile,4-chloro-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-)
- 863868-30-8(4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile)
- 1256360-55-0(2-[4-(bromomethyl)-2-chlorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
- 1212021-11-8(3-Chloro-5-cyanophenylboronic acid, pinacol ester)
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