Cas no 935685-88-4 (3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzonitrile)

3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzonitrile structure
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:

    2934999090

    Overview:

    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
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3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
935685-88-4 95%
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Fluorochem
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3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile
935685-88-4
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3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile
935685-88-4
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ChemScence
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ChemScence
CS-B1232-500mg
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
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ChemScence
CS-B1232-1g
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
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$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
1,3-Thiazol-2-ylbenzamides as P2X purinoceptor antagonists and their preparation
, World Intellectual Property Organization, , ,

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
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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

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