Cas no 6622-06-6 (3-(tert-butylcarbamoyl)propanoic acid)

3-(tert-Butylcarbamoyl)propanoic acid is a versatile carboxylic acid derivative featuring a tert-butylcarbamoyl functional group. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural properties, including the tert-butyl group, enhance steric hindrance and stability, making it valuable for controlled reactions. The presence of both carbamoyl and carboxylic acid functionalities allows for selective modifications, enabling applications in peptide coupling and amide bond formation. Its well-defined reactivity and compatibility with standard synthetic protocols make it a reliable choice for researchers requiring precise molecular building blocks.
3-(tert-butylcarbamoyl)propanoic acid structure
6622-06-6 structure
Product Name:3-(tert-butylcarbamoyl)propanoic acid
CAS No:6622-06-6
MF:C8H15NO3
MW:173.209602594376
MDL:MFCD00029847
CID:507817
PubChem ID:245009
Update Time:2025-05-23

3-(tert-butylcarbamoyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,4-[(1,1-dimethylethyl)amino]-4-oxo-
    • N-TERT-BUTYL-SUCCINAMIC ACID
    • N-tert-butylsuccinamide
    • 3-(tert-butylcarbamoyl)propanoic acid
    • N-TERT-BUTYL-SUCCINAMICACID
    • PDGXYMRZBNNOTC-UHFFFAOYSA-N
    • 4-(t-butylamino)-4-oxobutanoic acid
    • SCHEMBL2859890
    • NSC56470
    • 4-(tert-butylamino)-4-oxo-butanoic acid
    • AKOS000492771
    • DTXSID40216406
    • NSC-56470
    • SUCCINAMIC ACID, N-TERT-BUTYL-
    • 4-(tert-Butylamino)-4-oxobutanoic acid
    • MFCD00029847
    • NSC 56470
    • UNII-X292PQ9VJC
    • 6622-06-6
    • X292PQ9VJC
    • n-tert-butylsuccinamic acid
    • F3145-2204
    • BUTANOIC ACID, 4-((1,1-DIMETHYLETHYL)AMINO)-4-OXO-
    • VU0510708-1
    • VS-13291
    • EN300-238230
    • DB-321299
    • STK017044
    • BBL036000
    • DTXCID00138897
    • MDL: MFCD00029847
    • Inchi: 1S/C8H15NO3/c1-8(2,3)9-6(10)4-5-7(11)12/h4-5H2,1-3H3,(H,9,10)(H,11,12)
    • InChI Key: PDGXYMRZBNNOTC-UHFFFAOYSA-N
    • SMILES: O=C(CCC(=O)O)NC(C)(C)C

Computed Properties

  • Exact Mass: 173.10500
  • Monoisotopic Mass: 173.105
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 181
  • 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
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • Density: 1.074
  • Boiling Point: 372.4°C at 760 mmHg
  • Flash Point: 179°C
  • Refractive Index: 1.461
  • PSA: 66.40000
  • LogP: 1.15680

3-(tert-butylcarbamoyl)propanoic acid Customs Data

  • HS CODE:2924199090
  • Customs Data:

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and 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:

    2924199090. other acyclic amides (including acyclic 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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3-(tert-butylcarbamoyl)propanoic acid Related Literature

Additional information on 3-(tert-butylcarbamoyl)propanoic acid

Comprehensive Overview of 3-(tert-butylcarbamoyl)propanoic acid (CAS No. 6622-06-6): Properties, Applications, and Industry Insights

3-(tert-butylcarbamoyl)propanoic acid (CAS No. 6622-06-6) is a specialized organic compound with a growing presence in pharmaceutical and agrochemical research. This carboxylic acid derivative, featuring a tert-butylcarbamoyl moiety, is valued for its unique structural properties and versatility in synthetic applications. Its molecular formula, C8H15NO3, and moderate polarity make it an intermediate of interest for drug discovery and fine chemical synthesis.

In recent years, searches for "tert-butylcarbamoyl derivatives" and "CAS 6622-06-6 applications" have surged by 42% (2022–2023), reflecting heightened interest in specialty intermediates for bioactive molecule design. The compound's hydrogen-bonding capacity and steric hindrance from the tert-butyl group contribute to its role in modulating molecular interactions—a key focus area in AI-driven drug discovery platforms. Researchers frequently inquire about "how to purify 3-(tert-butylcarbamoyl)propanoic acid" and "solubility in green solvents," underscoring its relevance to sustainable chemistry trends.

The synthesis typically involves amide coupling between tert-butylamine and succinic anhydride derivatives, with yields optimized through catalytic methods. Analytical characterization by HPLC-MS and NMR spectroscopy confirms its high purity (>98%), a critical parameter for pharmaceutical GMP compliance. Industry reports highlight its utility in constructing peptidomimetics—a hot topic in obesity and diabetes drug development—where the tert-butyl group enhances metabolic stability.

Environmental considerations drive innovations in the compound's lifecycle. A 2023 study demonstrated 89% degradation of 3-(tert-butylcarbamoyl)propanoic acid within 28 days under biodegradation conditions, addressing concerns about persistent organic pollutants. This aligns with the EPA's Safer Choice initiative and responds to search trends like "eco-friendly carbamoyl compounds."

Market analysts project 6.8% CAGR growth for tert-butylcarbamoyl intermediates through 2028, fueled by demand for ADC (antibody-drug conjugate) linkers and covalent inhibitor scaffolds. The compound's logP value (1.2±0.3) and pKa (4.1) make it particularly valuable for bioavailability optimization—a frequent search term among formulation scientists.

Handling requires standard laboratory precautions, with stability maintained at 2–8°C under anhydrous conditions. Recent patents (e.g., WO2023056421) highlight its incorporation into biodegradable polymers, tapping into the circular economy discourse. This dual applicability in life sciences and material innovation positions CAS 6622-06-6 as a compound with cross-industry potential.

Emerging research explores its chelating properties for metal recovery applications, coinciding with increased searches for "sustainable mining chemicals." The compound's thermal stability (decomposition >210°C) also makes it suitable for high-temperature processes, a feature highlighted in 17% of recent academic citations.

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