Cas no 103788-61-0 (4-Chloromethyl-5-methyl-2-phenyl-oxazole)

4-Chloromethyl-5-methyl-2-phenyl-oxazole is a versatile heterocyclic compound featuring an oxazole core substituted with chloromethyl, methyl, and phenyl functional groups. This structure imparts reactivity at the chloromethyl site, making it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The electron-rich phenyl and methyl groups enhance its stability while allowing further functionalization. Its well-defined reactivity profile enables efficient derivatization, facilitating the construction of complex molecular architectures. The compound is typically handled under controlled conditions due to the reactive chloromethyl group, ensuring precise application in targeted synthetic pathways. Suitable for research and industrial-scale processes requiring high-precision intermediates.
4-Chloromethyl-5-methyl-2-phenyl-oxazole structure
103788-61-0 structure
Product Name:4-Chloromethyl-5-methyl-2-phenyl-oxazole
CAS No:103788-61-0
MF:C11H10ClNO
MW:207.656201839447
MDL:MFCD00800940
CID:135866
PubChem ID:9794289
Update Time:2025-11-06

4-Chloromethyl-5-methyl-2-phenyl-oxazole Chemical and Physical Properties

Names and Identifiers

    • 4-(Chloromethyl)-5-methyl-2-phenyloxazole
    • Oxazole,4-(chloromethyl)-5-methyl-2-phenyl-
    • 4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
    • 4-chloromethyl-5-methyl-2-phenyl-1,3-oxazole
    • 4-chloromethyl-5-methyl-2-phenyl-oxazole
    • 5-methyl-2-phenyl-4-Chloromethyloxazole
    • 4-Chloromethyl-2-phenyl-5-methyloxazole
    • 4-Chloromethyl-5-methyl-2-phenyloxazole
    • 5-Methyl-2-phenyl-4-(chloromethyl)oxazole
    • [5-Methyl-2-phenyloxazol-4-yl]methyl chloride
    • Chloromethyl-5-methyl-2-phenyloxazole
    • CHEMBL5173270
    • 2-phenyl-4-(chloromethyl)-5-methyloxazole
    • A21736
    • 103788-61-0
    • VCTKYTBWZTZPHF-UHFFFAOYSA-N
    • BB 0242408
    • FT-0713364
    • 5-methyl-2-phenyl-4-oxazolyl methyl chloride
    • EN300-26432
    • Z223030806
    • 4-chloromethyl-2-phenyl-5-methyl-oxazole
    • DTXSID70430779
    • MFCD00800940
    • AKOS001289751
    • W-204509
    • BS-9833
    • D78759
    • 7-PHENYLHEPTANOICACID
    • BP-13109
    • SCHEMBL503999
    • DTXCID30381612
    • 5-Methyl-2-phenyl-4-(chloromethyl)oxazole; [5-Methyl-2-phenyloxazol-4-yl]methyl Chloride; 4-(Chloromethyl)-5-methyl-2-phenyloxazole; 4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole; 4-Chloromethyl-2-phenyl-5-methyloxazole
    • DB-010786
    • 4-Chloromethyl-5-methyl-2-phenyl-oxazole
    • MDL: MFCD00800940
    • Inchi: 1S/C11H10ClNO/c1-8-10(7-12)13-11(14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
    • InChI Key: VCTKYTBWZTZPHF-UHFFFAOYSA-N
    • SMILES: ClCC1=C(C)OC(C2C=CC=CC=2)=N1

Computed Properties

  • Exact Mass: 207.04500
  • Monoisotopic Mass: 207.0450916g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 182
  • 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: 2.8
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • Density: 1.188
  • Melting Point: 84-85 oC
  • Boiling Point: 0°C
  • Flash Point: 0°C
  • PSA: 26.03000
  • LogP: 3.38880

4-Chloromethyl-5-methyl-2-phenyl-oxazole Security Information

  • Hazardous Material transportation number:UN 1759
  • Hazard Category Code: 34
  • Safety Instruction: S26; S36/37/39
  • Safety Term:S26-36/37/39
  • Risk Phrases:R34

4-Chloromethyl-5-methyl-2-phenyl-oxazole 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%

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Additional information on 4-Chloromethyl-5-methyl-2-phenyl-oxazole

Comprehensive Overview of 4-Chloromethyl-5-methyl-2-phenyl-oxazole (CAS No. 103788-61-0)

4-Chloromethyl-5-methyl-2-phenyl-oxazole (CAS No. 103788-61-0) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This oxazole derivative is characterized by its unique structural features, including a chloromethyl group at the 4-position and a phenyl ring at the 2-position, which contribute to its reactivity and potential applications. Researchers and industry professionals frequently search for terms like "oxazole derivatives synthesis", "4-Chloromethyl-5-methyl-2-phenyl-oxazole uses", and "CAS 103788-61-0 suppliers", reflecting the compound's relevance in modern chemistry.

The growing interest in 4-Chloromethyl-5-methyl-2-phenyl-oxazole is partly driven by its role as a building block in the synthesis of more complex molecules. For instance, it serves as a precursor in the development of bioactive compounds, including potential drug candidates. Searches such as "oxazole in medicinal chemistry" and "heterocyclic compounds in drug discovery" highlight the compound's importance in these fields. Its chloromethyl group is particularly valuable for further functionalization, enabling the creation of diverse molecular architectures.

From a synthetic chemistry perspective, 4-Chloromethyl-5-methyl-2-phenyl-oxazole is often discussed in the context of "green chemistry" and "sustainable synthesis". With increasing environmental concerns, researchers are exploring eco-friendly methods to produce such intermediates. Queries like "green synthesis of oxazole derivatives" and "CAS 103788-61-0 solvent-free reactions" are becoming more prevalent, indicating a shift toward sustainable practices. The compound's stability and reactivity make it a suitable candidate for innovative synthetic routes.

Another area of interest is the compound's potential applications in material science. The phenyl-oxazole core is known for its photophysical properties, which are relevant in the development of organic electronics and luminescent materials. Searches for "oxazole-based materials" and "CAS 103788-61-0 in OLEDs" reflect this emerging trend. The combination of its chloromethyl and methyl groups allows for fine-tuning of these properties, making it a versatile component in advanced materials.

In summary, 4-Chloromethyl-5-methyl-2-phenyl-oxazole (CAS No. 103788-61-0) is a multifaceted compound with broad applicability in pharmaceuticals, agrochemicals, and materials science. Its structural features, such as the chloromethyl and phenyl groups, make it a valuable intermediate for further chemical transformations. As research continues to evolve, the compound's role in "green chemistry" and "drug discovery" will likely expand, addressing both scientific and environmental challenges. For those seeking detailed information, keywords like "4-Chloromethyl-5-methyl-2-phenyl-oxazole synthesis protocol" and "CAS 103788-61-0 applications" are excellent starting points.

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