Cas no 346656-39-1 (1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene)

1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene is a fluorinated arylboronic ester derivative characterized by its stable cyclic dioxaborinane structure. The 5,5-dimethyl substitution enhances steric and electronic stability, making it suitable for Suzuki-Miyaura cross-coupling reactions under mild conditions. The ortho-fluorine substituent offers regioselective control in palladium-catalyzed transformations, enabling precise functionalization of aromatic systems. This compound exhibits improved shelf life and handling compared to boronic acids due to reduced protodeboronation and hydrolysis. Its compatibility with diverse reaction conditions makes it valuable in pharmaceutical and agrochemical synthesis, particularly for constructing fluorinated biaryl scaffolds. The product is typically supplied as a crystalline solid with high purity, ensuring reproducibility in synthetic applications.
1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene structure
346656-39-1 structure
Product Name:1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene
CAS No:346656-39-1
MF:C11H14BFO2
MW:208.037066936493
MDL:MFCD06200700
CID:821658
PubChem ID:87558461
Update Time:2025-06-07

1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene Chemical and Physical Properties

Names and Identifiers

    • 2-(2-Fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
    • 1-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)-2-FLUOROBENZENE
    • 2-fluorobenzeneboronic acid neopentylglycol ester
    • 2-Fluorophenylboronic Acid Neopentyl Glycol Ester
    • 346656-39-1
    • MFCD06200700
    • AKOS004115214
    • F0531
    • N12490
    • AS-68739
    • DTXSID20439252
    • SY054277
    • SCHEMBL5892492
    • AB23032
    • CS-0101383
    • 1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene
    • MDL： MFCD06200700
    • Inchi： 1S/C11H14BFO2/c1-11(2)7-14-12(15-8-11)9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
    • InChI Key： ZNFBLQHZFSLYQB-UHFFFAOYSA-N
    • SMILES： FC1C=CC=CC=1B1OCC(C)(C)CO1

Computed Properties

  • Exact Mass: 208.10700
  • Monoisotopic Mass: 208.1070880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 213
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 64-68?°C(lit.)
  • PSA: 18.46000
  • LogP: 1.59390
  • Solubility: Not determined

1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene Security Information

  • WGK Germany：3
  • Hazard Category Code： 22-36/37/38
  • Safety Instruction： 26-36/37
  • Hazardous Material Identification： Xn
  • Storage Condition：0-10°C

1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene 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%

1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
D862994-5g
1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene
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D479903-250mg
1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene
 346656-39-1
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D479903-500mg
1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene
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SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
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1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene
 346656-39-1 ≥98%(T)
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 ￥440.00 2022-01-10
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
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1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene
 346656-39-1 ≥98%(T)
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
F156763-250mg
1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene
 346656-39-1 >98.0%
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 ￥1209.90 2023-09-02
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
F156763-1g
1-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorobenzene
 346656-39-1 >98.0%
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 ￥358.90 2023-09-02

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