Cas no 1186310-98-4 (2-Chloro-3-(dimethoxymethyl)isonicotinonitrile)

2-Chloro-3-(dimethoxymethyl)isonicotinonitrile is a versatile heterocyclic compound featuring a chloro-substituted pyridine core with a dimethoxymethyl and nitrile functional group. This structure confers reactivity suitable for further derivatization, making it valuable in pharmaceutical and agrochemical synthesis. The chloro group enables nucleophilic substitution reactions, while the nitrile moiety offers opportunities for cyclization or hydrolysis. The dimethoxymethyl group enhances solubility and stability, facilitating handling in organic transformations. Its well-defined reactivity profile makes it a useful intermediate for constructing complex molecules, particularly in medicinal chemistry for developing bioactive scaffolds. The compound is typically handled under standard laboratory conditions, with purity and consistency being critical for reproducible results.
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile structure
1186310-98-4 structure
Product Name:2-Chloro-3-(dimethoxymethyl)isonicotinonitrile
CAS No:1186310-98-4
MF:C9H9ClN2O2
MW:212.632961034775
MDL:MFCD12922734
CID:1076065
PubChem ID:329771722
Update Time:2025-05-20

2-Chloro-3-(dimethoxymethyl)isonicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile
    • A-6119
    • AKOS015848847
    • 2-chloro-3-(dimethoxymethyl)pyridine-4-carbonitrile
    • 1186310-98-4
    • DTXSID90674052
    • 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile, AldrichCPR
    • MFCD12922734
    • MDL: MFCD12922734
    • Inchi: 1S/C9H9ClN2O2/c1-13-9(14-2)7-6(5-11)3-4-12-8(7)10/h3-4,9H,1-2H3
    • InChI Key: GJWYBPKJLNAJEQ-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(C#N)C=CN=1)C(OC)OC

Computed Properties

  • Exact Mass: 212.03500
  • Monoisotopic Mass: 212.0352552g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 224
  • 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: 1.2
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.14000
  • LogP: 1.89808

2-Chloro-3-(dimethoxymethyl)isonicotinonitrile Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn
  • HazardClass:IRRITANT

2-Chloro-3-(dimethoxymethyl)isonicotinonitrile 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%

2-Chloro-3-(dimethoxymethyl)isonicotinonitrile Pricemore >>

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Additional information on 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile

Comprehensive Overview of 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile (CAS No. 1186310-98-4)

2-Chloro-3-(dimethoxymethyl)isonicotinonitrile (CAS No. 1186310-98-4) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This nitrile derivative, characterized by its unique dimethoxymethyl and chloro substituents, serves as a versatile intermediate in the synthesis of bioactive molecules. Its molecular structure, combining an isonicotinonitrile core with functional groups, enables diverse applications in drug discovery and material science.

In recent years, the demand for high-purity intermediates like 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile has surged, driven by advancements in heterocyclic chemistry and small-molecule therapeutics. Researchers frequently search for "synthesis methods for isonicotinonitrile derivatives" or "applications of chloro-substituted nitriles," reflecting the compound's relevance in modern chemistry. Its role in constructing pyridine-based scaffolds—a key motif in FDA-approved drugs—further underscores its industrial importance.

The compound's dimethoxymethyl group enhances its reactivity in cross-coupling reactions, a topic trending in green chemistry forums. With growing interest in sustainable synthesis, questions like "how to optimize yield for 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile" are common among chemists. Analytical techniques such as HPLC and NMR are critical for verifying its purity, a concern highlighted in queries like "CAS 1186310-98-4 purity standards."

Beyond pharmaceuticals, 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile is explored in agrochemical formulations, particularly in developing crop protection agents. Searches for "nitrile compounds in agriculture" align with this application. The compound's stability under varying pH conditions—addressed in studies on "hydrolysis resistance of isonicotinonitriles"—makes it suitable for field-use formulations.

From a regulatory perspective, CAS 1186310-98-4 complies with major chemical inventories like REACH and TSCA, ensuring its global accessibility. Discussions on "safe handling of nitrile derivatives" emphasize proper storage (e.g., anhydrous environments) to preserve its chemical integrity. As innovation in catalysis evolves, this compound's utility in palladium-catalyzed reactions remains a focal point for patent filings.

In summary, 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile exemplifies the intersection of structural complexity and functional adaptability. Its alignment with trends like precision synthesis and bioactive material design ensures sustained relevance. For researchers navigating "advanced heterocyclic intermediates," this compound offers a compelling case study in molecular innovation.

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