- 1,3-Thiazol-2-ylbenzamides as P2X purinoceptor antagonists and their preparation, World Intellectual Property Organization, , ,
Cas no 935685-88-4 (3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzonitrile)
935685-88-4 structure
Product Name:3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzonitrile
CAS No:935685-88-4
MF:C13H15BFNO2
MW:247.073107004166
MDL:MFCD11521351
CID:1040788
PubChem ID:46738194
Update Time:2024-10-26
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- 3-Cyano-5-fluorophenylboronic acid pinacol ester
- 3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile
- 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile
- 3-fluoro-5-(4,4,5,5-tetramethyl-1,3-dioxaborolan-2-yl)benzonitrile
- 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (ACI)
- 2-(3-Cyano-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- 3-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- DTXSID80674248
- AKOS015942804
- MFCD11521351
- EN300-305732
- 3-CYANO-5-FLUOROBENZENEBORONIC ACID PINACOL ESTER
- 3-Cyano-5-fluorobenzeneboronic acid pinacol ester, 96%
- WWDTYZLFIFQZDE-UHFFFAOYSA-N
- AS-37042
- SCHEMBL419330
- ZB0294
- MB09945
- CS-B1232
- 3-fluoro-5-(4,4,5,5-tetramethyl-1,3.2-dioxaborolan-2-yl)benzonitrile
- DA-00623
- 935685-88-4
- 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzonitrile
-
- MDL: MFCD11521351
- Inchi: 1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7H,1-4H3
- InChI Key: WWDTYZLFIFQZDE-UHFFFAOYSA-N
- SMILES: N#CC1C=C(B2OC(C)(C)C(C)(C)O2)C=C(F)C=1
Computed Properties
- Exact Mass: 247.11800
- Monoisotopic Mass: 247.1179870g/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?2
Experimental Properties
- PSA: 42.25000
- LogP: 1.99658
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzonitrile Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 229773-1g |
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
935685-88-4 | 95% | 1g |
£282.00 | 2022-02-28 | |
| Fluorochem | 229773-5g |
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
935685-88-4 | 95% | 5g |
£844.00 | 2022-02-28 | |
| Fluorochem | 229773-10g |
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
935685-88-4 | 95% | 10g |
£1438.00 | 2022-02-28 | |
| TRC | F598645-100mg |
3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile |
935685-88-4 | 100mg |
$92.00 | 2023-05-18 | ||
| TRC | F598645-250mg |
3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile |
935685-88-4 | 250mg |
$184.00 | 2023-05-18 | ||
| TRC | F598645-500mg |
3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile |
935685-88-4 | 500mg |
$287.00 | 2023-05-18 | ||
| TRC | F598645-1g |
3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile |
935685-88-4 | 1g |
$ 330.00 | 2022-06-04 | ||
| ChemScence | CS-B1232-100mg |
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
935685-88-4 | 100mg |
$174.0 | 2022-04-26 | ||
| ChemScence | CS-B1232-500mg |
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
935685-88-4 | 500mg |
$220.0 | 2022-04-26 | ||
| ChemScence | CS-B1232-1g |
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
935685-88-4 | 1g |
$242.0 | 2022-04-26 |
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-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 ; 18 h, 100 °C
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ; 2 h, 90 °C
Reference
- Preparation of indolizine derivatives as phoshoinositide 3-kinases inhibitors, United States, , ,
Production Method 3
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: Dimethyl sulfoxide , 1,4-Dioxane ; overnight, 90 °C
Reference
- Substituted (thiazolylcarbonyl)imidazolidinones as antiretroviral agents and their preparation and use in the treatment of retroviral diseases, World Intellectual Property Organization, , ,
Production Method 4
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ; 2 h, rt → 110 °C
Reference
- Preparation of triazine-containing organic compounds for organic electroluminescent device, China, , ,
Production Method 5
Reaction Conditions
Reference
- Preparation of 8-substituted isoquinoline derivatives as IKKβ kinase inhibitors, World Intellectual Property Organization, , ,
Production Method 6
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichlorobis(triphenylphosphine)palladium Solvents: Dichloromethane , 1,4-Dioxane ; 4 h, 80 °C
Reference
- Thiazolyl derivatives as mGluR5 antagonists and their preparation and methods for their use, World Intellectual Property Organization, , ,
Production Method 7
Reaction Conditions
Reference
- Substituted (thiazolylcarbonyl)imidazolidinones as antiretroviral agents and their preparation and use in the treatment of retroviral diseases, Germany, , ,
Production Method 8
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: Dimethyl sulfoxide , 1,4-Dioxane ; overnight, 90 °C
Reference
- Substituted (thiophenylcarbonyl)imidazolidinones and their preparation and use for the treatment and/or prevention of retroviral diseases, World Intellectual Property Organization, , ,
Production Method 9
Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: Dimethyl sulfoxide , 1,4-Dioxane ; overnight, 90 °C
Reference
- Preparation of N-heterocyclyl furancarboxamides as anti-AIDS drugs., World Intellectual Property Organization, , ,
Production Method 10
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: Dimethylformamide ; 24 h, 100 °C
Reference
- Condensed cyclic compound, composition including the same, and organic light-emitting device including the condensed cyclic compound, United States, , ,
Production Method 11
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethylformamide ; 6 h, 110 °C
Reference
- Preparation biaryl oxyacetic acid compounds as inhibitors of CRTH2 receptor, World Intellectual Property Organization, , ,
Production Method 12
Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ; 4 h, 100 °C
Reference
- Preparation of 1,2,3,4-tetrahydroquinoxaline derivatives useful as RORγt agonists useful for the treatment of cancers, metabolic diseases and autoimmune diseases, World Intellectual Property Organization, , ,
Production Method 13
Reaction Conditions
Reference
- Preparation of N-heterocyclyl furancarboxamides as anti-AIDS drugs., Germany, , ,
Production Method 14
Reaction Conditions
Reference
- Substituted (thiophenylcarbonyl)imidazolidinones and their preparation and use for the treatment and/or prevention of retroviral diseases, Germany, , ,
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzonitrile Raw materials
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzonitrile Preparation Products
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzonitrile Related Literature
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
935685-88-4 (3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzonitrile) Related Products
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- 463335-96-8(2-Cyano-5-fluorophenylboronic acid pinacol ester)
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