Cas no 54648-79-2 (O-Methyl-N,N'-diisopropylisourea)

O-Methyl-N,N'-diisopropylisourea is a versatile reagent primarily used in organic synthesis, particularly for the preparation of amidines and other nitrogen-containing compounds. Its key advantages include high reactivity as an amidinating agent, enabling efficient transformations under mild conditions. The diisopropyl substituents enhance steric control, improving selectivity in reactions. The compound is stable under standard handling conditions, facilitating straightforward storage and use. It is commonly employed in peptide chemistry and pharmaceutical intermediates, offering reliable performance in complex synthetic pathways. Its well-defined reactivity profile makes it a valuable tool for researchers seeking precise functional group modifications.
O-Methyl-N,N'-diisopropylisourea structure
54648-79-2 structure
Product Name:O-Methyl-N,N'-diisopropylisourea
CAS No:54648-79-2
MF:C8H18N2O
MW:158.241322040558
MDL:MFCD00008866
CID:374897
PubChem ID:253662230
Update Time:2025-05-20

O-Methyl-N,N'-diisopropylisourea Chemical and Physical Properties

Names and Identifiers

    • Methyl N,N'-diisopropylcarbamimidate
    • N,N'-Diisopropyl-O-methylisourea
    • 1,3-diisopropyl-2-methylisourea
    • Carbamimidic acid,N,N'-bis(1-methylethyl)-, methyl ester
    • methyl N,N'-di(propan-2-yl)carbamimidate
    • o-Methyl-N,N-Diisopropylisourea
    • methoxy-N,N'-di-isopropylurea
    • Methyl N,N'-diisopropylimidocarbamate
    • N,N′-Diisopropyl-O-Methylisourea
    • N,N'-diisopropylmethylisourea
    • O-methyldiisopropylisourea
    • o-Methyl-N,N'-diisopropylisourea
    • N,N'-Diisopropylcarbamimidic Acid Methyl Ester
    • (Z)-MethylN,N''-diisopropylcarbamimidate
    • CHEMBL1598825
    • NSC672441
    • AKOS022172459
    • (E)-methyl N,N'-diisopropylcarbamimidate
    • DTXSID10203080
    • 1,3-diisopropyl-2-methyl-isourea
    • D4587
    • EINECS 259-275-2
    • D90303
    • SCHEMBL17050367
    • 54648-79-2
    • Methyl N-isopropyl-N'-[(Z)-1-methylethyl]imidocarbamate #
    • UNII-8YEQ5QMC58
    • NSC 672441
    • NSC-672441
    • FT-0708996
    • methyl N,N'-diisopropyl-carbamimidate
    • methyl (Z)-N,N'-diisopropylcarbamimidate
    • NCGC00246861-01
    • SMR000528875
    • NS00033158
    • PSEUDOUREA, 1,3-DIISOPROPYL-2-METHYL-
    • o-Methyl-N,N'-diisopropylisourea, 97%
    • HMS2885D04
    • MLS000766291
    • MFCD00008866
    • NCI60_025735
    • 8YEQ5QMC58
    • N,N'-Diisopropyl-O-methylisourea, purum, >=97.0% (GC)
    • Carbamimidic acid, N,N'-bis(1-methylethyl)-, methyl ester
    • SCHEMBL4141650
    • (1-Methylpyrrolidin-3-yl)methanamine
    • DA-21214
    • N,N'-DIISOPROPYLMETHOXYMETHANIMIDAMIDE
    • O-Methyl-N,N'-diisopropylisourea
    • MDL: MFCD00008866
    • Inchi: 1S/C8H18N2O/c1-6(2)9-8(11-5)10-7(3)4/h6-7H,1-5H3,(H,9,10)
    • InChI Key: PUVRRPLSJKDMKH-UHFFFAOYSA-N
    • SMILES: O(C)/C(=N\C(C)C)/NC(C)C

Computed Properties

  • Exact Mass: 158.14200
  • Monoisotopic Mass: 158.142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 130
  • 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: 1.6
  • Topological Polar Surface Area: 33.6A^2

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 0.871?g/mL?at 25?°C(lit.)
  • Boiling Point: 51°C/10mmHg(lit.)
  • Flash Point: Fahrenheit: 95 ° f < br / > Celsius: 35 ° C < br / >
  • Refractive Index: n20/D 1.436(lit.)
  • PSA: 33.62000
  • LogP: 1.78610
  • Solubility: Not available

O-Methyl-N,N'-diisopropylisourea Security Information

O-Methyl-N,N'-diisopropylisourea Customs Data

  • HS CODE:2925290090
  • Customs Data:

    China Customs Code:

    2925290090

    Overview:

    2925290090 Other imines and their derivatives,And their salt.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2925290090 other imines and their derivatives; salts thereof.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

O-Methyl-N,N'-diisopropylisourea Pricemore >>

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O-Methyl-N,N'-diisopropylisourea Production Method

O-Methyl-N,N'-diisopropylisourea Related Literature

Additional information on O-Methyl-N,N'-diisopropylisourea

Comprehensive Guide to O-Methyl-N,N'-diisopropylisourea (CAS No. 54648-79-2): Properties, Applications, and Market Insights

O-Methyl-N,N'-diisopropylisourea (CAS No. 54648-79-2) is a specialized organic compound widely recognized for its role in synthetic chemistry and pharmaceutical research. This isourea derivative is valued for its unique reactivity and versatility in organic synthesis, making it a critical intermediate in the development of various bioactive molecules. With the growing demand for high-purity chemical intermediates, understanding the properties and applications of this compound is essential for researchers and industry professionals.

The chemical structure of O-Methyl-N,N'-diisopropylisourea features a methyl group attached to an oxygen atom, along with two isopropyl groups on the nitrogen atoms. This configuration enhances its stability while maintaining reactivity, particularly in nucleophilic substitution reactions. Researchers often utilize this compound in the synthesis of heterocyclic compounds, which are foundational in drug discovery and agrochemical development. Its compatibility with various solvents, including polar aprotic solvents like DMF and acetonitrile, further broadens its utility in laboratory settings.

One of the most prominent applications of O-Methyl-N,N'-diisopropylisourea is in peptide coupling reactions, where it serves as an efficient coupling reagent. Its ability to facilitate amide bond formation under mild conditions has made it a preferred choice in peptide synthesis, a field experiencing rapid growth due to advancements in biopharmaceuticals. Additionally, this compound is employed in the preparation of urea derivatives, which are pivotal in materials science and polymer chemistry.

Recent trends in green chemistry have spurred interest in optimizing the synthesis of O-Methyl-N,N'-diisopropylisourea to reduce environmental impact. Researchers are exploring catalytic methods and solvent-free reactions to enhance sustainability. This aligns with the broader industry shift toward eco-friendly chemical processes, a topic frequently searched in academic and industrial forums.

The market for O-Methyl-N,N'-diisopropylisourea is expanding, driven by its applications in pharmaceutical intermediates and specialty chemicals. With the rise of personalized medicine and targeted therapies, the demand for high-quality synthetic intermediates like this compound is expected to grow. Suppliers are increasingly focusing on GMP-compliant production to meet the stringent requirements of the pharmaceutical sector.

For researchers seeking reliable sources of O-Methyl-N,N'-diisopropylisourea, it is crucial to partner with manufacturers that provide comprehensive analytical data, including HPLC and NMR spectra. Quality assurance is paramount, especially when the compound is used in drug development or material science applications. Many suppliers now offer custom synthesis services to cater to specific project needs, further enhancing its accessibility.

In summary, O-Methyl-N,N'-diisopropylisourea (CAS No. 54648-79-2) is a versatile and valuable compound in modern chemistry. Its applications span from peptide synthesis to material science, reflecting its broad utility. As the chemical industry continues to evolve, this compound will likely remain a key player in advancing research and innovation. Stay updated with the latest developments by exploring scientific literature and industry reports on this high-demand intermediate.

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