Cas no 50445-53-9 (N-Isopropyl-3-nitrobenzamide)

N-Isopropyl-3-nitrobenzamide structure
N-Isopropyl-3-nitrobenzamide structure
Product Name:N-Isopropyl-3-nitrobenzamide
CAS No:50445-53-9
MF:C10H12N2O3
MW:208.213882446289
MDL:MFCD00458988
CID:385136
PubChem ID:347742
Update Time:2025-04-24

N-Isopropyl-3-nitrobenzamide Chemical and Physical Properties

Names and Identifiers

    • N-Isopropyl-3-nitrobenzamide
    • 3-nitro-N-propan-2-ylbenzamide
    • Benzamide,N-(1-methylethyl)-3-nitro-
    • AKOS000371465
    • AB01331136-02
    • MFCD00458988
    • Oprea1_097109
    • 50445-53-9
    • SCHEMBL13226001
    • DTXSID70324381
    • SR-01000197802
    • NSC406569
    • A871549
    • BIM-0048870.P001
    • E78545
    • NCGC00339117-01
    • CBMicro_048920
    • NSC-406569
    • BS-28777
    • SR-01000197802-1
    • SB77118
    • CS-0210241
    • NSC 406569
    • 3-nitro-N-(propan-2-yl)benzamide
    • STK066602
    • MDL: MFCD00458988
    • Inchi: 1S/C10H12N2O3/c1-7(2)11-10(13)8-4-3-5-9(6-8)12(14)15/h3-7H,1-2H3,(H,11,13)
    • InChI Key: LAZHBIZCDHGGKL-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=C(C=1)[N+](=O)[O-])NC(C)C

Computed Properties

  • Exact Mass: 208.08500
  • Monoisotopic Mass: 208.085
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 248
  • 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: 1.8
  • Topological Polar Surface Area: 74.9?2

Experimental Properties

  • Density: 1.189
  • Boiling Point: 367.1°Cat760mmHg
  • Flash Point: 175.8°C
  • Refractive Index: 1.548
  • PSA: 74.92000
  • LogP: 2.64710

N-Isopropyl-3-nitrobenzamide Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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N-Isopropyl-3-nitrobenzamide Production Method

N-Isopropyl-3-nitrobenzamide Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:50445-53-9)N-Isopropyl-3-nitrobenzamide
Order Number:A871549
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:29
Price ($):225.0

Additional information on N-Isopropyl-3-nitrobenzamide

N-Isopropyl-3-nitrobenzamide (CAS No. 50445-53-9): Properties, Applications, and Market Insights

N-Isopropyl-3-nitrobenzamide (CAS No. 50445-53-9) is a specialized organic compound with significant relevance in pharmaceutical and agrochemical research. This nitrobenzamide derivative features an isopropyl group attached to the amide nitrogen, offering unique chemical properties that make it valuable for synthetic applications. The compound's molecular formula is C10H12N2O3, with a molecular weight of 208.22 g/mol.

The growing interest in N-Isopropyl-3-nitrobenzamide uses stems from its role as a key intermediate in drug discovery. Researchers are particularly focused on its potential in developing novel enzyme inhibitors and bioactive molecules. Recent studies highlight its importance in creating compounds with potential therapeutic effects, aligning with current trends in precision medicine and targeted drug delivery systems.

From a chemical perspective, 3-nitro-N-isopropylbenzamide demonstrates moderate solubility in organic solvents like ethanol and dimethyl sulfoxide (DMSO), while being less soluble in water. This property profile makes it particularly useful in organic synthesis workflows. The compound's stability under various conditions has been documented in recent pharmaceutical chemistry journals, with particular attention to its behavior in different pH environments.

The synthesis of N-Isopropyl-3-nitrobenzamide typically involves the reaction of 3-nitrobenzoyl chloride with isopropylamine. This process has been optimized in recent years to improve yield and purity, addressing common questions about how to synthesize N-Isopropyl-3-nitrobenzamide efficiently. Modern synthetic approaches emphasize green chemistry principles, reducing waste and improving sustainability - a key concern in current pharmaceutical manufacturing trends.

Analytical characterization of 50445-53-9 compound typically employs techniques such as HPLC, NMR spectroscopy, and mass spectrometry. These methods verify the compound's purity and structural integrity, which are critical factors for research applications. Recent advancements in analytical technology have enabled more precise quantification of impurities, meeting the stringent requirements of pharmaceutical quality control standards.

In the current market, demand for N-Isopropyl-3-nitrobenzamide suppliers has shown steady growth, particularly from contract research organizations and academic institutions. The compound's price varies depending on purity grade and quantity, with research-grade material typically ranging between $50-$200 per gram. Market analysts note increased interest from Asia-Pacific regions, reflecting broader trends in pharmaceutical outsourcing and research collaboration.

Storage and handling of N-Isopropyl-3-nitrobenzamide powder require standard laboratory precautions. The compound should be kept in tightly sealed containers at room temperature, protected from light and moisture. These storage conditions align with general best practices for research chemical preservation and ensure material stability over extended periods.

Future research directions for CAS 50445-53-9 include exploring its potential in novel drug formulations and investigating its biochemical interactions more comprehensively. The scientific community continues to examine its structure-activity relationships, particularly how modifications to the isopropyl or nitro groups might enhance desired properties. These investigations contribute to the broader field of medicinal chemistry innovation.

For researchers sourcing this material, it's important to verify certificates of analysis and ensure suppliers comply with current Good Manufacturing Practices. The compound's availability from multiple global suppliers has improved in recent years, though quality variations between sources remain a consideration for sensitive applications.

The environmental profile of N-Isopropyl-3-nitrobenzamide has gained attention as part of the pharmaceutical industry's focus on green chemistry metrics. Recent lifecycle assessments examine its biodegradation pathways and potential ecological impacts, addressing growing concerns about sustainable chemical development.

Patent literature reveals ongoing interest in 3-nitro-N-isopropylbenzamide applications, with several recent filings describing its use in novel synthetic routes or as a precursor for more complex molecules. This intellectual property activity indicates the compound's continuing relevance in innovative chemical research.

Academic interest in 50445-53-9 research appears in numerous recent publications, particularly in journals focusing on synthetic organic chemistry and medicinal chemistry. These studies often explore the compound's reactivity patterns or its incorporation into larger molecular architectures, contributing valuable knowledge to the chemical research community.

As the pharmaceutical industry continues to evolve, N-Isopropyl-3-nitrobenzamide maintains its position as a versatile building block in drug discovery. Its balanced properties and well-characterized behavior make it a reliable choice for researchers developing next-generation therapeutic agents, particularly in areas addressing emerging health challenges.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:50445-53-9)N-Isopropyl-3-nitrobenzamide
A871549
Purity:99%
Quantity:5g
Price ($):225.0
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