Cas no 5894-65-5 (N-tert-Butylbenzamide)

N-tert-Butylbenzamide is a benzamide derivative characterized by the presence of a tert-butyl group attached to the nitrogen atom of the amide functionality. This structural feature enhances its steric hindrance and stability, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound exhibits favorable solubility in common organic solvents, facilitating its use in reactions such as acylations and condensations. Its robust tert-butyl group contributes to improved thermal and chemical resistance, making it suitable for applications requiring stable amide linkages. N-tert-Butylbenzamide is often employed in the development of agrochemicals, specialty polymers, and bioactive molecules due to its reliable reactivity and structural versatility.
N-tert-Butylbenzamide structure
N-tert-Butylbenzamide structure
Product Name:N-tert-Butylbenzamide
CAS No:5894-65-5
MF:C11H15NO
MW:177.242902994156
MDL:MFCD00041337
CID:85478
PubChem ID:138622
Update Time:2025-06-13

N-tert-Butylbenzamide Chemical and Physical Properties

Names and Identifiers

    • N-tert-Butylbenzamide
    • 2,2-dimethyl-N-benzoylethylamine
    • Benzamide,N-(1,1-dimethylethyl)
    • Benzamide,N-tert-butyl
    • N-t-Butylbenzamide
    • N-tert-butyl-benzylamide
    • N-tert-butylcarbamoylbenzene
    • PhCONH(Me)3
    • PhCONHC(CH3)3
    • SR-01000414973-1
    • 5894-65-5
    • AS-57992
    • N-(1,1-Dimethylethyl)benzamide
    • N-(tert-butyl)benzamide
    • A832083
    • CS-0322856
    • DTXSID30207681
    • BRD-K46728177-001-01-2
    • Benzamide,1-dimethylethyl)-
    • NSC 99237
    • EU-0003085
    • N-tert-Butylbenzamide,98+%
    • NSC-99237
    • HMS1476C01
    • N-tert-butyl benzamide
    • NCGC00172989-01
    • IDI1_020067
    • FT-0635897
    • SCHEMBL408310
    • N-t-butyl benzamide
    • Benzamide, N-(1,1-dimethylethyl)-
    • MFCD00041337
    • NSC99237
    • ChemDiv3_001101
    • N-Benzoyl-tert-butylamine
    • D85748
    • Benzamide, N-tert-butyl-
    • SR-01000414973
    • NCIOpen2_001965
    • AKOS001605257
    • DB-053293
    • MDL: MFCD00041337
    • Inchi: 1S/C11H15NO/c1-11(2,3)12-10(13)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
    • InChI Key: HYWWTHOGCJXTRI-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1)NC(C)(C)C
    • BRN: 2042391

Computed Properties

  • Exact Mass: 177.11500
  • Monoisotopic Mass: 177.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 175
  • 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
  • Topological Polar Surface Area: 29.1A^2
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2.2

Experimental Properties

  • Color/Form: NA
  • Density: 1.013
  • Melting Point: 172-174°C
  • Boiling Point: 293.2°Cat760mmHg
  • Flash Point: 131.1°C
  • Refractive Index: 1.511
  • PSA: 29.10000
  • LogP: 2.60580

N-tert-Butylbenzamide Security Information

N-tert-Butylbenzamide 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-tert-Butylbenzamide Production Method

N-tert-Butylbenzamide Related Literature

Additional information on N-tert-Butylbenzamide

Comprehensive Overview of N-tert-Butylbenzamide (CAS No. 5894-65-5): Properties, Applications, and Industry Insights

N-tert-Butylbenzamide (CAS No. 5894-65-5) is a specialized organic compound widely recognized for its role in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. This tertiary amide derivative, characterized by its benzamide core and tert-butyl substituent, exhibits unique physicochemical properties that make it valuable across multiple industries. With growing interest in high-performance amides and custom synthesis, this compound has garnered attention for its versatility and potential in green chemistry applications.

The molecular structure of N-tert-Butylbenzamide combines a benzene ring with a carboxamide functional group, modified by a bulky tert-butyl moiety. This configuration influences its solubility profile (moderate in polar solvents like ethanol but low in water) and thermal stability (decomposition typically above 200°C). Recent studies highlight its utility as a building block in peptide mimetics and small-molecule drug discovery, particularly in modulating bioavailability and metabolic resistance—key concerns in modern pharmaceutical R&D.

In agrochemical applications, 5894-65-5 serves as a precursor for crop protection agents, where its lipophilic nature enhances systemic activity in plants. Industry trends show rising demand for low-toxicity intermediates, positioning this compound as an alternative to traditional aromatic amides in sustainable pesticide formulations. Researchers are also exploring its potential in polymer additives, where it may improve UV resistance and thermal aging properties—a hot topic in material science forums.

Analytical characterization of N-tert-Butylbenzamide typically involves HPLC purity testing (≥98% purity for industrial use), FTIR spectroscopy (notable C=O stretch at ~1650 cm?1), and mass spectrometry (MW 191.27 g/mol). Quality control protocols emphasize the absence of residual solvents, a critical parameter for GMP-compliant production. Recent patents disclose novel catalytic amidation methods to synthesize this compound with improved atom economy, aligning with circular chemistry principles.

Market intelligence reveals increasing searches for "N-tert-Butylbenzamide suppliers," "5894-65-5 technical data sheet," and "benzamide derivatives applications," reflecting commercial interest. Environmental considerations drive innovation in waste minimization during synthesis, while QSAR modeling studies explore structure-activity relationships for bioactive analogs. As regulatory landscapes evolve, particularly in REACH compliance, proper SDS documentation for this compound remains essential for global trade.

Future prospects for CAS 5894-65-5 include emerging applications in electronic materials (as a dielectric layer modifier) and cosmetic stabilizers. The compound's low ecotoxicity profile makes it attractive for biodegradable formulations, addressing consumer demand for eco-friendly chemicals. Ongoing research investigates its synergistic effects with ionic liquids for energy storage systems—an area gaining traction in battery technology discussions.

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