Cas no 675576-26-8 (6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%))

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%) is a boronic ester derivative of isoquinoline, commonly employed as an intermediate in Suzuki-Miyaura cross-coupling reactions. The presence of the pinacol boronate group enhances stability and solubility, facilitating handling and storage under standard conditions. With a purity exceeding 85%, this compound is suitable for synthetic applications in pharmaceuticals, agrochemicals, and materials science. Its isoquinoline scaffold offers versatility in constructing heterocyclic frameworks, while the boronate moiety ensures efficient reactivity with aryl or vinyl halides. The product is typically utilized under inert conditions to preserve its integrity. Proper characterization (NMR, HPLC) is recommended prior to use in sensitive reactions.
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%) structure
675576-26-8 structure
Product Name:6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%)
CAS No:675576-26-8
MF:C15H18BNO2
MW:255.119924068451
MDL:MFCD11227091
CID:500885
PubChem ID:16102695
Update Time:2025-05-22

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%) Chemical and Physical Properties

Names and Identifiers

    • 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
    • 6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-isoquinoline
    • A9049
    • Isoquinoline-6-boronic acid pinacol ester
    • AKOS022173471
    • LFALMDZWCMSBFO-UHFFFAOYSA-N
    • SB38244
    • Z2044761365
    • 6-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOQUINOLINE
    • FT-0603968
    • Isoquinoline-6-boronic acid pinacol ester, 95%
    • 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%)
    • DTXSID80582879
    • 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) isoquinoline
    • SCHEMBL2232278
    • 675576-26-8
    • EN300-1425735
    • MFCD11227091
    • DA-16617
    • MDL： MFCD11227091
    • Inchi： 1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-6-5-12-10-17-8-7-11(12)9-13/h5-10H,1-4H3
    • InChI Key： LFALMDZWCMSBFO-UHFFFAOYSA-N
    • SMILES： O1B(C2C=CC3C=NC=CC=3C=2)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 255.14300
  • Monoisotopic Mass: 255.1430590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 329
  • 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: 31.4?2

Experimental Properties

  • Density: 1.10±0.1 g/cm3 (20 oC 760 Torr)
  • Melting Point: 179-184?°C
  • PSA: 31.35000
  • LogP: 2.53400

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%) Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26
  • Hazardous Material Identification： Xi
  • Storage Condition：2-8°C

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%) 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%

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%) Pricemore >>

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6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%) Production Method

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%) Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:675576-26-8)異喹啉-6-硼酸頻哪醇酯
Order Number:LE8380120
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:46
Price ($):discuss personally

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%) Related Literature

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Additional information on 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%)

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline: A Comprehensive Overview

The compound 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline, identified by the CAS registry number 675576-26-8, is a highly specialized organic molecule with significant applications in contemporary chemical research. This isoquinoline derivative has garnered attention due to its unique structural features and potential utility in various fields such as medicinal chemistry and materials science. The molecule's structure incorporates a dioxaborolane moiety, which introduces intriguing electronic and steric properties that make it a valuable tool in modern synthetic chemistry.

Recent advancements in the synthesis of isoquinoline derivatives have highlighted the importance of functional group diversity. The presence of the dioxaborolane group in this compound provides a versatile platform for further chemical modifications. Researchers have demonstrated that this compound can serve as an intermediate in the construction of complex heterocyclic frameworks. For instance, its use in cross-coupling reactions has been reported in several high-profile studies, underscoring its role in building bioactive molecules with potential therapeutic applications.

The isolation and characterization of 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline have been facilitated by cutting-edge analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry. These methods have enabled precise determination of the compound's molecular structure and purity. The high purity (>85%) of this compound ensures its reliability in demanding research applications.

In terms of applications, this isoquinoline derivative has shown promise in the field of drug discovery. Its ability to act as a scaffold for constructing bioactive molecules has been leveraged in the development of novel pharmaceutical agents. Recent studies have explored its potential as an inhibitor of key enzymes involved in disease pathways. Additionally, its incorporation into supramolecular assemblies has opened new avenues for materials science research.

The synthesis of 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline typically involves multi-step organic reactions that require meticulous control over reaction conditions. The use of transition metal catalysts and boron-based reagents has been instrumental in achieving high yields and selectivity. These synthetic strategies are aligned with green chemistry principles and contribute to the sustainable production of this compound.

From an environmental standpoint, the handling and storage of this compound must adhere to established safety protocols to minimize risks associated with chemical exposure. Its stability under various conditions has been thoroughly investigated to ensure safe handling during laboratory operations.

In conclusion, 6-(4,4,5,5-Tetramethyl-1,3,dioxaborolan-2-yl)isoquinoline stands as a testament to the progress made in modern organic synthesis. Its unique properties and versatility make it an invaluable asset for researchers across multiple disciplines. As ongoing studies continue to uncover new applications for this compound,CAS No 675576-26-8 will undoubtedly remain at the forefront of chemical innovation.

675576-26-8 (6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline (>85%)) Related Products

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:675576-26-8)異喹啉-6-硼酸頻哪醇酯
LE8380120
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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