Cas no 94497-53-7 (Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate)

Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate is a synthetic organic compound featuring a tetrahydronaphthalene core linked to a benzoate ester via a carbamoyl bridge. The sterically hindered tetramethyl groups enhance stability, while the carbamoyl and ester functionalities provide versatility for further chemical modifications. This compound is of interest in pharmaceutical and materials research due to its rigid, lipophilic structure, which may improve binding affinity in drug design or serve as a building block for advanced polymers. Its well-defined molecular architecture makes it suitable for applications requiring precise structural control. The compound is typically handled under standard laboratory conditions, with purity verified by analytical techniques such as HPLC or NMR.
Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate structure
94497-53-7 structure
Product Name:Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate
CAS No:94497-53-7
MF:C23H27NO3
MW:365.465386629105
CID:61731
PubChem ID:13632689
Update Time:2025-11-02

Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate
    • Am 81
    • Benzoic acid, 4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)amino]carbonyl]-, methyl ester
    • methyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoate
    • Methyl 4-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl) carbamoyl]benzoate
    • methyl 4-<(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbamoyl>benzoate
    • N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-terephthalamic acid methyl ester
    • terephthalic acid mono-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthylamide methyl ester
    • 94497-53-7
    • BS-46668
    • METHYL4-((5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CARBAMOYL)BENZOATE
    • MFCD12828201
    • E75501
    • SCHEMBL1615896
    • B0001-100975
    • Methyl 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoate
    • DTXSID20545483
    • CBBXAIYXFKPCMD-UHFFFAOYSA-N
    • FT-0709581
    • Inchi: 1S/C23H27NO3/c1-22(2)12-13-23(3,4)19-14-17(10-11-18(19)22)24-20(25)15-6-8-16(9-7-15)21(26)27-5/h6-11,14H,12-13H2,1-5H3,(H,24,25)
    • InChI Key: CBBXAIYXFKPCMD-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(C(=O)OC)=CC=1)NC1C=CC2=C(C=1)C(C)(C)CCC2(C)C

Computed Properties

  • Exact Mass: 365.19900
  • Monoisotopic Mass: 365.19909372g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 4
  • Complexity: 560
  • 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: 5.7
  • Topological Polar Surface Area: 55.4?2

Experimental Properties

  • Density: 1.107
  • Melting Point: 211-212 oC
  • Boiling Point: 433.9 °C at 760 mmHg
  • Flash Point: 216.2 °C
  • PSA: 55.40000
  • LogP: 5.14750

Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate Pricemore >>

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Additional information on Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate

Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate (CAS No. 94497-53-7): A Comprehensive Overview

Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate (CAS No. 94497-53-7) is a specialized organic compound that has garnered significant attention in the fields of medicinal chemistry and material science. This compound, often referred to by its abbreviated name Methyl TMT-Carbamoyl Benzoate, features a unique molecular structure combining a tetramethyl-tetrahydronaphthalene moiety with a benzoate ester group. Its CAS number 94497-53-7 serves as a crucial identifier for researchers and manufacturers worldwide.

The molecular structure of Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate makes it particularly interesting for pharmaceutical applications. Recent studies have explored its potential as a building block for novel drug candidates, especially in the development of small molecule therapeutics. The compound's tetramethyl-tetrahydronaphthalene core provides excellent stability, while the benzoate ester group offers versatility for further chemical modifications.

In the context of current research trends, CAS 94497-53-7 has been investigated for its potential in addressing modern healthcare challenges. Scientists are particularly interested in its application for age-related diseases and neurodegenerative conditions, aligning with the growing global focus on healthy aging. The compound's structural features suggest possible interactions with nuclear receptors, making it a candidate for developing new therapeutic agents.

The synthesis of Methyl TMT-Carbamoyl Benzoate typically involves multi-step organic reactions, with careful control of reaction conditions to ensure high purity. Manufacturers emphasize the importance of quality control in producing this compound, as even minor impurities can significantly affect its performance in downstream applications. Analytical techniques such as HPLC and NMR spectroscopy are routinely employed to verify the compound's identity and purity.

From a commercial perspective, the demand for CAS 94497-53-7 has been steadily increasing, particularly from pharmaceutical research institutions and biotech companies. The compound's price and availability can vary depending on market conditions and production scales. Many suppliers now offer custom synthesis services for this molecule, allowing researchers to obtain derivatives with specific modifications for their projects.

In material science applications, Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate has shown promise as a precursor for advanced functional materials. Its aromatic system and ester functionality make it suitable for creating polymeric materials with specific optical or electronic properties. Researchers are exploring its use in developing new organic semiconductors and photovoltaic materials, responding to the growing interest in sustainable energy solutions.

Storage and handling of Methyl TMT-Carbamoyl Benzoate require standard laboratory precautions. The compound should be kept in airtight containers away from moisture and light to maintain stability. While not classified as hazardous under normal conditions, proper laboratory safety protocols should always be followed when working with this or any chemical substance.

The future outlook for CAS 94497-53-7 appears promising, with ongoing research uncovering new potential applications. As the scientific community continues to explore structure-activity relationships and molecular design principles, compounds like Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate will likely play increasingly important roles in both pharmaceutical and material science innovations.

For researchers interested in this compound, numerous scientific publications and patent documents are available that detail its synthesis, properties, and applications. The compound's unique structural features continue to inspire new research directions, particularly in the development of targeted therapies and smart materials that address current global health and technology challenges.

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