Cas no 1150561-70-8 (2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester)

2-Cyano-3-methylpyridine-5-boronic acid pinacol ester is a boronic ester derivative commonly employed in Suzuki-Miyaura cross-coupling reactions. The presence of the cyano and methyl substituents on the pyridine ring enhances its reactivity and selectivity in forming carbon-carbon bonds. The pinacol ester group stabilizes the boronic acid moiety, improving shelf life and handling under ambient conditions. This compound is particularly useful in pharmaceutical and agrochemical synthesis, where its structural features facilitate the introduction of functionalized pyridine scaffolds. Its compatibility with diverse reaction conditions and high purity make it a reliable intermediate for advanced organic synthesis.
2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester structure
1150561-70-8 structure
Product Name:2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester
CAS No:1150561-70-8
MF:C13H17BN2O2
MW:244.097283124924
MDL:MFCD12026105
CID:839938
PubChem ID:46739526
Update Time:2025-05-24

2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 2-CYANO-3-METHYLPYRIDINE-5-BORONIC ACID, PINACOL ESTER
    • 3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile
    • 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
    • 2-Cyano-3-methylpyridine-5-boronic acid,pinacol ester
    • HQSMPPQBXULOMO-UHFFFAOYSA-N
    • RB2110
    • MB11508
    • FCH2844472
    • BC001131
    • OR361037
    • AB0088127
    • AX8230279
    • ST24022949
    • 6-CYANO-5-METHYLPYR
    • 6-CYANO-5-
    • AMY41012
    • MFCD12026105
    • J-003240
    • 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-cyanopyridine
    • 2-Cyano-3-methylpyridine-5-boronic acid pinacol ester
    • DTXSID70675128
    • DS-17580
    • Z1741979656
    • AKOS015999303
    • EN300-7366240
    • 6-CYANO-5-METHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER
    • 1150561-70-8
    • SCHEMBL15641239
    • 3-METHYL-5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE-2-CARBONITRILE
    • 2-Pyridinecarbonitrile, 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • (6-CYANO-5-METHYLPYRIDIN-3-YL)BORONIC ACID PINACOL ESTER
    • FT-0696429
    • DA-23346
    • 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester
    • MDL： MFCD12026105
    • Inchi： 1S/C13H17BN2O2/c1-9-6-10(8-16-11(9)7-15)14-17-12(2,3)13(4,5)18-14/h6,8H,1-5H3
    • InChI Key： HQSMPPQBXULOMO-UHFFFAOYSA-N
    • SMILES： O1B(C2C=NC(C#N)=C(C)C=2)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 244.13800
  • Monoisotopic Mass: 244.1383080g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 358
  • 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: 55.1

Experimental Properties

  • Density: 1.09±0.1 g/cm3 (20 oC 760 Torr),
  • PSA: 55.14000
  • LogP: 1.56088

2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester Related Literature

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Additional information on 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester

Comprehensive Overview of 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester (CAS No. 1150561-70-8)

2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester (CAS No. 1150561-70-8) is a highly versatile boronic ester derivative widely used in pharmaceutical research, agrochemical development, and material science. This compound belongs to the class of pyridine boronic esters, which are critical intermediates in Suzuki-Miyaura cross-coupling reactions, a cornerstone of modern organic synthesis. Its unique structure, featuring a cyano group and a methyl substituent on the pyridine ring, enhances its reactivity and selectivity in various applications.

The growing demand for boronic acid derivatives in drug discovery has positioned 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester as a key building block. Researchers frequently search for "pyridine boronic ester applications" or "CAS 1150561-70-8 synthesis" to explore its potential in creating novel biaryl compounds. Its stability under ambient conditions and compatibility with diverse reaction conditions make it a preferred choice for high-throughput screening and combinatorial chemistry.

In recent years, the compound has gained attention in the development of targeted therapies, particularly in oncology and neurodegenerative diseases. Searches like "boronic esters in drug design" or "2-Cyano-3-methylpyridine-5-boronic acid uses" reflect the scientific community's interest in its role as a proteasome inhibitor precursor. The pinacol ester moiety further improves its solubility and handling, addressing common challenges in small-molecule synthesis.

From an industrial perspective, CAS 1150561-70-8 is pivotal in optimizing catalytic processes and green chemistry initiatives. Queries such as "sustainable boronic acid derivatives" highlight its alignment with eco-friendly synthetic routes. The compound’s compatibility with palladium-catalyzed reactions and microwave-assisted synthesis further underscores its adaptability to cutting-edge methodologies.

Analytical studies of 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester often focus on its NMR spectra and HPLC purity, with researchers seeking "CAS 1150561-70-8 characterization" data. Its robust stability profile and well-documented structure-activity relationships (SAR) make it a reference compound for analogous heterocyclic boronic esters. The presence of the cyano group also opens avenues for further functionalization, enabling the creation of diverse pharmacophores.

Emerging trends in precision medicine and bioconjugation have further amplified the relevance of this compound. Searches like "boronic acid probes for imaging" or "pyridine-based sensors" demonstrate its utility beyond traditional synthesis. Its electron-withdrawing properties and metal-coordinating ability are exploited in designing fluorescent tags and chelation therapies.

In summary, 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester (CAS No. 1150561-70-8) is a multifaceted compound bridging academic research and industrial applications. Its integration into high-value chemical libraries and alignment with AI-driven drug discovery platforms ensure its continued prominence in the evolving landscape of specialty chemicals.

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