Cas no 891843-32-6 (Benzoic acid, 2-fluoro-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-)

2-Fluoro-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoic acid is a fluorinated aromatic compound featuring a benzoic acid core substituted with a 2-fluoro group and a 4,4,5,5-tetramethyl-1,3-dioxolan-2-yl moiety at the 6-position. The presence of the dioxolane ring enhances its stability and solubility in organic solvents, making it a valuable intermediate in synthetic chemistry. The fluorine atom introduces electron-withdrawing effects, which can influence reactivity and binding properties in medicinal or agrochemical applications. This compound is particularly useful in cross-coupling reactions, such as Suzuki-Miyaura couplings, due to the boronic ester-like reactivity of the dioxolane group. Its structural features make it suitable for constructing complex molecules in pharmaceutical and material science research.
Benzoic acid, 2-fluoro-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)- structure
891843-32-6 structure
Product Name:Benzoic acid, 2-fluoro-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-
CAS No:891843-32-6
MF:C13H16BFO4
MW:266.073147773743
CID:1939902
PubChem ID:100913430
Update Time:2025-07-02

Benzoic acid, 2-fluoro-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-fluoro-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-
    • DTXSID901158871
    • 891843-32-6
    • 2-FLUORO-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
    • 2-Carboxy-3-fluorobenzeneboronic acid pinacol ester
    • CS-0356437
    • Inchi： 1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)8-6-5-7-9(15)10(8)11(16)17/h5-7H,1-4H3,(H,16,17)
    • InChI Key： KNDPQSDAHCFRDB-UHFFFAOYSA-N
    • SMILES： FC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1C(=O)O

Computed Properties

  • Exact Mass: 266.1125673Da
  • Monoisotopic Mass: 266.1125673Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 356
  • 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: 55.8?2

Benzoic acid, 2-fluoro-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1427107-1g
2-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
 891843-32-6 98%
1g
 ￥6634.00 2024-04-26

Benzoic acid, 2-fluoro-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)- Related Literature

891843-32-6 (Benzoic acid, 2-fluoro-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-) Related Products

Recommended suppliers
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.