Cas no 1065073-45-1 ((2-methyl-1,3-oxazol-4-yl)methanamine)

(2-Methyl-1,3-oxazol-4-yl)methanamine is a heterocyclic amine featuring a methyl-substituted oxazole core with a reactive aminomethyl functional group. This compound serves as a versatile building block in organic synthesis and pharmaceutical research, particularly in the development of bioactive molecules. Its oxazole scaffold contributes to enhanced stability and potential pharmacological activity, while the primary amine group enables straightforward derivatization via amidation, reductive amination, or other coupling reactions. The structural motif is of interest in medicinal chemistry for designing enzyme inhibitors, receptor modulators, and other small-molecule therapeutics. The compound’s well-defined reactivity profile and compatibility with standard synthetic methodologies make it a valuable intermediate for targeted molecular design.
(2-methyl-1,3-oxazol-4-yl)methanamine structure
1065073-45-1 structure
Product Name:(2-methyl-1,3-oxazol-4-yl)methanamine
CAS No:1065073-45-1
MF:C5H8N2O
MW:112.129820823669
MDL:MFCD09909579
CID:890608
PubChem ID:44119606
Update Time:2025-06-10

(2-methyl-1,3-oxazol-4-yl)methanamine Chemical and Physical Properties

Names and Identifiers

    • (2-Methyloxazol-4-yl)methanamine
    • 4-(Aminomethyl)-2-methyl-1,3-oxazole hydrochloride
    • (2-methyl-1,3-oxazol-4-yl)methanamine
    • 2-Methyl-4-oxazolemethanamine
    • (2-Methyloxazol-4-yl)methanamine hydrochloride
    • DTXSID301308240
    • EN300-227378
    • F1905-0259
    • CS-0440667
    • AB54740
    • DB-150189
    • MFCD09909579
    • SCHEMBL12641736
    • 1-(2-METHYL-1,3-OXAZOL-4-YL)METHANAMINE
    • 4-(Aminomethyl)-2-methyl-1,3-oxazole
    • AKOS022358025
    • BS-14267
    • 1065073-45-1
    • C71257
    • MDL: MFCD09909579
    • Inchi: 1S/C5H8N2O/c1-4-7-5(2-6)3-8-4/h3H,2,6H2,1H3
    • InChI Key: ZFKWYIYSYDLCCG-UHFFFAOYSA-N
    • SMILES: O1C=C(CN)N=C1C

Computed Properties

  • Exact Mass: 112.063662883g/mol
  • Monoisotopic Mass: 112.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 76.8
  • 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: -0.4
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • Density: 1.102
  • Boiling Point: 186 oC
  • Flash Point: 67 oC

(2-methyl-1,3-oxazol-4-yl)methanamine Security Information

(2-methyl-1,3-oxazol-4-yl)methanamine Pricemore >>

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(2-methyl-1,3-oxazol-4-yl)methanamine Related Literature

Additional information on (2-methyl-1,3-oxazol-4-yl)methanamine

Comprehensive Overview of (2-methyl-1,3-oxazol-4-yl)methanamine (CAS No. 1065073-45-1): Properties, Applications, and Industry Insights

The compound (2-methyl-1,3-oxazol-4-yl)methanamine, identified by its CAS No. 1065073-45-1, is a specialized organic molecule featuring a 1,3-oxazole core with a methyl substituent at the 2-position and an aminomethyl group at the 4-position. This structure endows it with unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical research. The oxazole ring is a privileged scaffold in drug discovery due to its hydrogen-bonding capacity and metabolic stability, aligning with modern trends in small-molecule therapeutics and fragment-based drug design.

Recent advancements in heterocyclic chemistry have spotlighted derivatives like (2-methyl-1,3-oxazol-4-yl)methanamine as key building blocks for kinase inhibitors and GPCR-targeted compounds. Its CAS No. 1065073-45-1 is frequently queried in scientific databases, reflecting growing interest in structure-activity relationship (SAR) studies. Researchers leverage its bifunctional nature (amine + heterocycle) to develop covalent inhibitors or PROTACs—topics trending in AI-driven drug discovery forums.

From a synthetic perspective, 1065073-45-1 is often synthesized via cyclocondensation of α-haloketones with amides or through multicomponent reactions (MCRs), methods popularized by green chemistry initiatives. Its logP and pKa values (predicted via computational chemistry tools) make it suitable for blood-brain barrier penetration studies—a hot topic in neurodegenerative disease research.

In material science, the oxazole amine moiety contributes to photoactive polymers and OLED emitters, addressing demands for energy-efficient displays. Patent analyses reveal its utility in electronic-grade coatings, coinciding with surges in searches for flexible electronics materials.

Regulatory-wise, CAS 1065073-45-1 is compliant with major chemical inventories (e.g., REACH, TSCA), though users should verify local guidelines. Safety data sheets emphasize standard organic lab precautions, avoiding misclassification as hazardous—a critical distinction for ESG-conscious manufacturers.

The compound’s versatility is further evidenced by its role in bioconjugation techniques, particularly in antibody-drug conjugates (ADCs)—a field experiencing 20% annual growth. Its primary amine enables NHS ester coupling, a staple in proteomics workflows frequently discussed in biotech webinars.

Market analysts note rising procurement of 1065073-45-1 by CDMOs serving mRNA vaccine supply chains, where oxazoles stabilize lipid nanoparticles (LNPs). This application dovetails with post-pandemic focus on nucleic acid delivery systems—a top Google Scholar keyword since 2021.

For quality control, HPLC-UV at 254 nm is standard, though LC-MS gains traction for trace analysis. Purity thresholds (>98%) align with ICH Q3A guidelines, a frequent search term among QC professionals optimizing analytical method validation.

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