Cas no 1256256-45-7 (tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate)

Tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate is a boronic ester derivative commonly used as an intermediate in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. The tert-butyl carbamate (Boc) group provides stability and selective deprotection under mild acidic conditions, while the dioxaborolane moiety enhances reactivity in palladium-catalyzed transformations. The fluorine substituent offers electronic modulation for regioselective functionalization. This compound is valued for its high purity, shelf stability, and compatibility with diverse reaction conditions, making it suitable for pharmaceutical and materials science applications. Proper handling under inert atmospheres is recommended to preserve its integrity.
tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate structure
1256256-45-7 structure
Product Name:tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
CAS No:1256256-45-7
MF:C17H25BFNO4
MW:337.194108724594
MDL:MFCD18383441
CID:1004368
PubChem ID:59578631
Update Time:2025-05-26

tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate Chemical and Physical Properties

Names and Identifiers

    • 4-(Boc-amino)-2-fluorobenzeneboronic acid pinacol ester
    • 2-FLUORO-4-(PHENYLCARBAMIC ACID T-BUTYL ESTER)-BORONIC ACID
    • tert-Butyl (3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
    • (4-((TERT-BUTOXYCARBONYL)AMINO)-2-FLUOROPHENYL)BORONIC ACID PINACOL ESTER
    • FALNYBWTRBHWID-UHFFFAOYSA-N
    • [3-fluoro-4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl]carbamic acid tert-butyl ester
    • tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
    • MFCD18383441
    • AKOS025293548
    • tert-Butyl(3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
    • SY256549
    • 1256256-45-7
    • CS-0154418
    • AS-43381
    • EN300-129549
    • tert-butyl N-[3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
    • SB83316
    • 4-(BOC-Amino)-2-fluorophenylboronic acid pinacol ester
    • 4-(BOC-Amino)-2-fluorophenylboronic acid, pinacol ester
    • DB-404642
    • SCHEMBL13035973
    • MDL： MFCD18383441
    • Inchi： 1S/C17H25BFNO4/c1-15(2,3)22-14(21)20-11-8-9-12(13(19)10-11)18-23-16(4,5)17(6,7)24-18/h8-10H,1-7H3,(H,20,21)
    • InChI Key： FALNYBWTRBHWID-UHFFFAOYSA-N
    • SMILES： FC1C=C(C=CC=1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 337.1860666g/mol
  • Monoisotopic Mass: 337.1860666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 462
  • 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: 56.8

Experimental Properties

  • Melting Point: 150-152℃

tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate Pricemore >>

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tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:1256256-45-7)tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
Order Number:A1046057
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:21
Price ($):549.0

tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate Related Literature

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Additional information on tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate: A Comprehensive Overview

In the realm of organic chemistry and materials science, the compound tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate (CAS No. 1256256-45-7) has emerged as a significant molecule of interest due to its unique structural properties and potential applications in drug discovery and materials synthesis. This compound is a derivative of a boron-containing aromatic system with a fluorine substituent and a tert-butyl carbamate group. Its structure combines elements of boron chemistry with aromatic substitution patterns that are highly relevant in contemporary research.

The synthesis of this compound involves advanced coupling reactions and boron-based intermediates. Recent studies have highlighted the importance of such molecules in constructing complex organic frameworks for pharmaceuticals and advanced materials. The presence of the fluorine atom at the meta position of the phenyl ring introduces electronic effects that can modulate reactivity and bioavailability in drug candidates. Similarly, the dioxaborolane moiety provides a versatile platform for further functionalization through Suzuki-Miyaura cross-coupling reactions or other transition-metal-mediated processes.

One of the most notable aspects of this compound is its role in modern drug design. The integration of fluorine into organic molecules has been shown to enhance pharmacokinetic properties such as lipophilicity and metabolic stability. In this case, the fluorine substitution at position 3 of the phenyl ring contributes to these desirable characteristics while maintaining structural integrity for further chemical modifications.

Moreover, the tert-butyl carbamate group serves as a protecting group during synthesis while also offering opportunities for controlled release mechanisms in drug delivery systems. This dual functionality makes the compound an attractive candidate for researchers exploring novel therapeutic agents or advanced polymer precursors.

In terms of applications beyond drug discovery, this compound has potential uses in materials science due to its ability to participate in cross-coupling reactions that form robust carbon-carbon bonds. Such reactions are pivotal in constructing high-performance polymers and electronic materials with tailored properties.

Recent advancements in computational chemistry have also enabled detailed studies of this compound's electronic structure and reactivity profiles. Quantum mechanical calculations have provided insights into its bonding characteristics and stability under various reaction conditions.

In conclusion, tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate stands out as a versatile building block in modern organic synthesis with promising applications across multiple disciplines.

1256256-45-7 (tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate) Related Products

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Amadis Chemical Company Limited
(CAS:1256256-45-7)tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
A1046057
Purity:99%
Quantity:25g
Price ($):549.0
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