Cas no 42205-73-2 (4-tert-butylpyridine-2-carbonitrile)

4-tert-butylpyridine-2-carbonitrile structure
42205-73-2 structure
Product Name:4-tert-butylpyridine-2-carbonitrile
CAS No:42205-73-2
MF:C10H12N2
MW:160.215682029724
MDL:MFCD03788285
CID:1112347
PubChem ID:14482379
Update Time:2025-04-24

4-tert-butylpyridine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-(1,1-dimethylethyl)-2-Pyridinecarbonitrile
    • 4-tert-Butylpyridine-2-carbonitrile
    • 2-cyano-4-t-butylpyridine
    • 2-cyano-4-tert-butyl-pyridine
    • 4-t-Butylpyridine-2-carbonitrile
    • 4-tert-butyl-2-cyanopyridine
    • 4-(tert-butyl)picolinonitrile
    • DS-016863
    • 4-tert-Butylpicolinonitrile
    • EN300-200400
    • MFCD03788285
    • J-516009
    • 42205-73-2
    • AKOS006342819
    • 4-tert-Butyl pyridine-2-carbonitrile
    • DTXSID20560838
    • 2-Cyano-4-tert-butylpyridine
    • SB53097
    • UDPVBTOAETZTLT-UHFFFAOYSA-N
    • 2-Propanone, 1-amino-3-phenyl-, hydrochloride (1:1
    • D87776
    • SCHEMBL803414
    • CS-0214873
    • 4-tert-butylpyridine-2-carbonitrile
    • MDL: MFCD03788285
    • Inchi: 1S/C10H12N2/c1-10(2,3)8-4-5-12-9(6-8)7-11/h4-6H,1-3H3
    • InChI Key: UDPVBTOAETZTLT-UHFFFAOYSA-N
    • SMILES: N1C=CC(=CC=1C#N)C(C)(C)C

Computed Properties

  • Exact Mass: 160.10000
  • Monoisotopic Mass: 160.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 194
  • 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
  • XLogP3: 2.6
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 275.7±20.0 °C at 760 mmHg
  • PSA: 36.68000
  • LogP: 2.25078

4-tert-butylpyridine-2-carbonitrile Security Information

4-tert-butylpyridine-2-carbonitrile 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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Additional information on 4-tert-butylpyridine-2-carbonitrile

Comprehensive Guide to 4-(1,1-dimethylethyl)-2-Pyridinecarbonitrile (CAS No. 42205-73-2): Properties, Applications, and Market Insights

4-(1,1-dimethylethyl)-2-Pyridinecarbonitrile (CAS 42205-73-2) is a specialized organic compound with significant relevance in pharmaceutical and agrochemical research. This pyridine derivative features a tert-butyl group and a cyano functional group, making it a valuable intermediate in synthetic chemistry. With growing interest in heterocyclic compounds for drug discovery, this molecule has gained attention for its unique structural properties and potential applications.

The compound's molecular formula is C10H12N2, with a molecular weight of 160.22 g/mol. Its chemical structure combines the aromatic nature of pyridine with the steric effects of the tert-butyl group, creating interesting reactivity patterns. Researchers particularly value this nitrogen-containing compound for its ability to serve as a building block in medicinal chemistry, where pyridine derivatives are increasingly important.

In pharmaceutical applications, 4-(1,1-dimethylethyl)-2-Pyridinecarbonitrile serves as a precursor for various biologically active molecules. The cyano group offers multiple transformation possibilities, allowing chemists to create amides, carboxylic acids, or heterocyclic systems. Current trends in small molecule drug development have increased demand for such versatile intermediates, especially in the development of kinase inhibitors and other targeted therapies.

The agrochemical industry also utilizes this compound in the synthesis of novel crop protection agents. Its pyridine core structure appears in several commercial pesticides and herbicides, making 42205-73-2 an important intermediate for agricultural applications. With growing global focus on sustainable agriculture and green chemistry, researchers are exploring more efficient synthetic routes for such valuable intermediates.

From a market perspective, the demand for 4-(1,1-dimethylethyl)-2-Pyridinecarbonitrile has shown steady growth, particularly in Asia-Pacific regions where pharmaceutical and agrochemical production is expanding. Manufacturers are optimizing production processes to meet the increasing need for high-purity pyridine-based intermediates, with particular attention to cost-effectiveness and environmental impact.

Quality control for CAS 42205-73-2 typically involves HPLC analysis, with purity standards often exceeding 98%. Storage recommendations generally suggest keeping the compound in cool, dry conditions away from strong oxidizing agents. Proper handling of this organic nitrile compound requires standard laboratory safety precautions, including adequate ventilation and personal protective equipment.

Recent scientific literature highlights innovative applications of 4-(1,1-dimethylethyl)-2-Pyridinecarbonitrile in materials science, particularly in the development of organic electronic materials. The compound's conjugated system and electron-withdrawing cyano group make it potentially useful in organic semiconductors or photovoltaic materials, aligning with current interests in renewable energy technologies.

For researchers sourcing this chemical, important considerations include supplier reliability, batch-to-batch consistency, and proper documentation. The compound's price fluctuates based on production scale and purity requirements, with current market trends showing increased competition among suppliers of pyridine derivatives and related fine chemicals.

Environmental and regulatory aspects of 42205-73-2 continue to evolve, with most jurisdictions classifying it as a standard laboratory chemical. However, users should always consult current regional regulations regarding chemical handling and disposal. The compound's environmental fate and toxicity profile remain areas of ongoing research, particularly regarding its biodegradation pathways.

Future developments for 4-(1,1-dimethylethyl)-2-Pyridinecarbonitrile may include more sustainable synthetic methods, such as catalytic processes or bio-based production routes. The pharmaceutical industry's continued focus on nitrogen heterocycles as privileged structures in drug design ensures ongoing interest in this and related pyridinecarbonitrile derivatives.

Analytical characterization of CAS 42205-73-2 typically involves spectroscopic methods including NMR, IR, and mass spectrometry. These techniques confirm the compound's identity and purity, which are crucial for research applications. Recent advances in analytical technology have improved the detection and quantification of such specialty chemicals in complex matrices.

In conclusion, 4-(1,1-dimethylethyl)-2-Pyridinecarbonitrile represents an important building block in modern chemical research and industrial applications. Its versatility as a chemical intermediate, combined with the growing importance of pyridine chemistry in life sciences, ensures its continued relevance in scientific and industrial contexts. Researchers and manufacturers alike will benefit from staying informed about the latest developments regarding this valuable compound.

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