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Atomfair 3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline C12H17BFNO2 CAS 819057-45-9

3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS No. 819057-45-9) is a high-purity boronic ester derivative with the molecular formula C12H17BFNO2. This compound features a reactive pinacol boronate group and an aniline moiety, making it a versatile intermediate for Suzuki-Miyaura cross-coupling reactions and other organoboron chemistry applications. Its stable tetramethyl dioxaborolane ring ensures excellent shelf-life and handling properties under inert conditions. Ideal for pharmaceutical research, materials science, and agrochemical development, this reagent is supplied as a crystalline solid with ≥95% purity (HPLC). Store under nitrogen at 2-8°C to maintain stability. Suitable for use in controlled environments by trained professionals.

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Description

3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS No. 819057-45-9) is a high-purity boronic ester derivative with the molecular formula C12H17BFNO2. This compound features a reactive pinacol boronate group and an aniline moiety, making it a versatile intermediate for Suzuki-Miyaura cross-coupling reactions and other organoboron chemistry applications. Its stable tetramethyl dioxaborolane ring ensures excellent shelf-life and handling properties under inert conditions. Ideal for pharmaceutical research, materials science, and agrochemical development, this reagent is supplied as a crystalline solid with ≥95% purity (HPLC). Store under nitrogen at 2-8°C to maintain stability. Suitable for use in controlled environments by trained professionals.

Properties

  • CAS Number: 819057-45-9
  • Complexity: 282
  • IUPAC Name: 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
  • InChI: InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(15)7-10(9)14/h5-7H,15H2,1-4H3
  • InChI Key: FLMNWVXAEGUVNY-UHFFFAOYSA-N
  • Exact Mass: 237.1336371
  • Molecular Formula: C12H17BFNO2
  • Molecular Weight: 237.08
  • SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)N)F
  • Topological: 44.5
  • Monoisotopic Mass: 237.1336371
  • Synonyms: 3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline, 690-890-2, 819057-45-9, 4-AMINO-2-FLUOROPHENYLBORONIC ACID PINACOL ESTER, 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline, MFCD09951877, 4-Amino-2-fluorophenylboronic acid, pinacol ester, FLMNWVXAEGUVNY-UHFFFAOYSA-N, BENZENAMINE, 3-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, SCHEMBL60187, 4-AMINO-2-FLUOROBENZENEBORONIC ACID PINACOL ESTER, SCHEMBL28607848, (4-AMINO-2-FLUOROPHENYL)BORONIC ACID PINACOL ESTER, DTXSID30660651, SBB098728, AKOS015960167, CS-W005873, MB08227, NCGC00662597-01, DS-17106, SY007761, 4-Amino-2-fluorophenylboronic acid picol ester, EN300-115267, 4-Amino-2-fluorobenzene boronic acid pinacol ester, 4-amino-2-fluorophenyl boronic acid pinacol ester, Z1483425423, 4-Amino-2-fluorophenylboronic acid pinacol ester, AldrichCPR, 3-fluoro-4-(4,4,5,5-tetramethyl(1,3,2-dioxaborolan-2-yl))phenylamine, 3-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine, 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-aniline, 4-aMino-2-fluorophenylboronic acid pinacol ester, 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Application

3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is widely used as a key building block in palladium-catalyzed cross-coupling reactions to synthesize fluorinated biaryl compounds. It serves as a precursor for pharmaceutical intermediates, particularly in the development of kinase inhibitors and PET radiotracers. The compound’s boronate ester group also enables its use in polymer chemistry and functional material design.

Safety and Hazards

GHS Hazard Statements

  • H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (25%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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