Cas no 27006-76-4 (5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde)

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde is a versatile pyrazole-based aldehyde used as a key intermediate in organic synthesis and pharmaceutical research. Its reactive aldehyde group enables facile derivatization, making it valuable for constructing heterocyclic compounds and functionalized pyrazole derivatives. The chloro and methyl substituents enhance its stability and influence its reactivity, allowing selective modifications. This compound is particularly useful in medicinal chemistry for developing biologically active molecules, including potential agrochemicals and pharmaceuticals. Its well-defined structure and purity ensure consistent performance in synthetic applications. Suitable for use under controlled conditions, it is handled with standard laboratory precautions due to its sensitivity.
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde structure
27006-76-4 structure
Product Name:5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No:27006-76-4
MF:C6H7ClN2O
MW:158.58558011055
MDL:MFCD00052538
CID:53055
PubChem ID:2777397
Update Time:2025-05-24

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde
    • 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde
    • 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
    • 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde
    • 5-Chloro-1,3-dimethyl pyrazole-4-aldehyde
    • 5-chloro-1,3-dimethyl-1H-pyrazol-4-carbaldehyde oxime
    • 5-chloro-1,3-dimethyl-1h-pyrazole-4-aldehyde
    • 5-Chloro-4-formyl-1,3-dimethylpyrazole
    • Pyrazole-4-carboxaldehyde,5-chloro-1,3-dimethyl- (8CI)
    • 1,3-Dimethyl-5-chloropyrazole-4-carboxaldehyde
    • 5-Chloro-1,3-dimethyl-1H-pyrazol-4-aldehyde
    • 5-Chloro-1,3-dimethyl-4-formylpyrazole
    • 1H-Pyrazole-4-carboxaldehyde, 5-chloro-1,3-dimethyl-
    • PubChem23629
    • KSC496S9T
    • SZRSMNYUEXXEBL-UHFFFAOYSA-N
    • STL280193
    • SBB0055
    • DTXSID90380505
    • SY032397
    • AM20090335
    • 1,3-dimethyl-5-chloropyrazole-4-carbaldehyde
    • J-517240
    • FT-0620200
    • BP-10318
    • A5284
    • 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde, AldrichCPR
    • CS-W008283
    • EN300-25759
    • Z217291800
    • BB 0304060
    • AKOS001320753
    • AB02196
    • NCGC00338026-01
    • 1,3-dimethyl-5-chloropyrazole-4-aldehyde
    • SCHEMBL766122
    • AC-28098
    • MFCD00052538
    • C2747
    • 11F-419S
    • AB01330178-02
    • 27006-76-4
    • DB-011425
    • MDL: MFCD00052538
    • Inchi: 1S/C6H7ClN2O/c1-4-5(3-10)6(7)9(2)8-4/h3H,1-2H3
    • InChI Key: SZRSMNYUEXXEBL-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=O)C(C)=NN1C

Computed Properties

  • Exact Mass: 158.02500
  • Monoisotopic Mass: 158.0246905 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 142
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.1
  • Molecular Weight: 158.58
  • Topological Polar Surface Area: 34.9

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.31
  • Melting Point: 77.0 to 80.0 deg-C
  • Boiling Point: 255.7℃ at 760 mmHg
  • Flash Point: 108.4 °C
  • Refractive Index: 1.571
  • PSA: 34.89000
  • LogP: 1.19440
  • Solubility: Not determined

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde Security Information

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole 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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5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde Production Method

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:27006-76-4)5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
Order Number:sfd16050
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:37
Price ($):discuss personally

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde Related Literature

Additional information on 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde: A Comprehensive Overview

The compound with CAS No. 27006-76-4, commonly referred to as 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde, is a significant molecule in the field of organic chemistry and pharmaceutical research. This compound belongs to the class of pyrazole derivatives, which have gained considerable attention due to their diverse biological activities and potential applications in drug discovery. The structure of 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde consists of a pyrazole ring substituted with a chlorine atom at position 5, methyl groups at positions 1 and 3, and a carbaldehyde group at position 4. This unique substitution pattern contributes to its distinct chemical properties and biological functions.

Recent studies have highlighted the importance of pyrazole derivatives in medicinal chemistry, particularly in the development of antifungal, anti-inflammatory, and anticancer agents. The 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde molecule has been explored for its potential as a lead compound in these therapeutic areas. Researchers have reported that the chlorine substitution at position 5 enhances the molecule's stability and bioavailability, making it a promising candidate for further investigation.

The synthesis of 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde involves a multi-step process that typically begins with the preparation of the pyrazole ring followed by functionalization at specific positions. Recent advancements in synthetic methodologies have enabled chemists to optimize the synthesis pathway, improving yield and purity. For instance, the use of microwave-assisted synthesis has been shown to significantly reduce reaction time while maintaining high product quality.

In terms of biological activity, 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde has demonstrated potent antifungal properties against various fungal strains, including Candida species. This activity is attributed to its ability to inhibit key enzymes involved in fungal metabolism. Additionally, preliminary studies suggest that this compound may exhibit anti-inflammatory effects by modulating pro-inflammatory cytokines. These findings underscore its potential as a versatile therapeutic agent.

One of the most intriguing aspects of 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde is its ability to serve as a scaffold for further structural modifications. By altering substituents on the pyrazole ring or modifying the carbaldehyde group, researchers can explore a wide range of biological activities and optimize pharmacokinetic properties such as solubility and permeability.

Recent research has also focused on the computational modeling of 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde to predict its interactions with target proteins. Molecular docking studies have revealed that this compound exhibits strong binding affinity to certain receptors associated with cancer and inflammation. These insights provide a foundation for designing more potent derivatives with enhanced therapeutic efficacy.

In conclusion, 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde represents a valuable molecule in contemporary chemical research due to its unique structure and diverse biological activities. Its potential applications span across various therapeutic areas, making it an attractive target for further exploration and development.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:27006-76-4)5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
sfd16050
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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