Atomfair 1-Methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]piperazine C18H29BN2O2 CAS 883738-27-0

1-Methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]piperazine (CAS No. 883738-27-0) is a high-purity boronic ester derivative with the molecular formula C18H29BN2O2. This compound features a piperazine moiety linked to a pinacol boronate ester, making it a valuable intermediate in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. Its robust structure ensures stability under various reaction conditions, while the boronate ester group serves as a versatile handle for further functionalization. Ideal for pharmaceutical research, medicinal chemistry, and material science applications, this reagent is supplied with rigorous quality control to ensure consistency and performance. Store under inert conditions to maintain reactivity and shelf life.

Description

1-Methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]piperazine (CAS No. 883738-27-0) is a high-purity boronic ester derivative with the molecular formula C18H29BN2O2. This compound features a piperazine moiety linked to a pinacol boronate ester, making it a valuable intermediate in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. Its robust structure ensures stability under various reaction conditions, while the boronate ester group serves as a versatile handle for further functionalization. Ideal for pharmaceutical research, medicinal chemistry, and material science applications, this reagent is supplied with rigorous quality control to ensure consistency and performance. Store under inert conditions to maintain reactivity and shelf life.

Properties

  • CAS Number: 883738-27-0
  • Complexity: 392
  • IUPAC Name: 1-methyl-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
  • InChI: InChI=1S/C18H29BN2O2/c1-17(2)18(3,4)23-19(22-17)16-8-6-7-15(13-16)14-21-11-9-20(5)10-12-21/h6-8,13H,9-12,14H2,1-5H3
  • InChI Key: PESZAXRJFGLGTR-UHFFFAOYSA-N
  • Exact Mass: 316.2322083
  • Molecular Formula: C18H29BN2O2
  • Molecular Weight: 316.2
  • SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CN3CCN(CC3)C
  • Topological: 24.9
  • Monoisotopic Mass: 316.2322083
  • Synonyms: 1-Methyl-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine, 1-Methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]piperazine, 677-217-8, 883738-27-0, 3-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 1-methyl-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine, MFCD09266181, 3-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid, pinacol ester, 1-Methyl-4-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine, 3-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid pinacol ester, SCHEMBL722120, DTXSID40675312, PESZAXRJFGLGTR-UHFFFAOYSA-N, AKOS016001010, AS-2279, 1-Methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]piperazine, DA-29178, SY110323, CS-0061109, M3245, EN300-155803, W17331, 3-((4-Methylpiperazin-1-yl)methyl)-phenylboronic acid pinacol ester, 3-[(4-Methyl-1-piperazinyl)methyl]phenylboronic Acid Pinacol Ester, 1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-4-methylp ip erazine, 1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-4-methylpiperazine, 1-methyl-4-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine

Application

This compound is widely used as a key intermediate in the synthesis of biologically active molecules, particularly in the development of pharmaceuticals and agrochemicals. Its boronate ester functionality enables efficient cross-coupling reactions, facilitating the construction of complex aromatic systems. Researchers also employ it in the preparation of boron-containing probes for biochemical studies. Its stability and reactivity make it suitable for high-throughput screening and combinatorial chemistry applications.

Safety and Hazards

GHS Hazard Statements

  • H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]
  • H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
  • H335 (75%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (12.5%)
  • Acute Tox. 4 (12.5%)
  • Skin Irrit. 2 (87.5%)
  • Eye Irrit. 2 (87.5%)
  • Acute Tox. 4 (12.5%)
  • STOT SE 3 (75%)

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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.

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  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • 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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