Cas no 873055-54-0 (Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl ester)

Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl ester structure
873055-54-0 structure
Product Name:Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl ester
CAS No:873055-54-0
MF:C16H24O3
MW:264.359965324402
MDL:MFCD23134693
CID:2156279
PubChem ID:59544152
Update Time:2025-07-01

Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbonic acid, 2,4-bis(1,1-dimethylethyl)phenyl methyl ester
    • 2,4-di-tert-butylphenyl methyl carbonate
    • carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester
    • MRZZXDUZVJNFQL-UHFFFAOYSA-N
    • 2,4-Bis(1,1-dimethylethyl)phenyl methyl ester
    • Carbonic acid,2,4-bis(1,1-diMethylethyl)phenyl Methyl ester
    • 2,4-Bis(1,1-dimethylethyl)phenyl methyl carbonate (ACI)
    • Carbonic acid 2,4-di-tert-butylphenyl ester methyl ester
    • 873055-54-0
    • CS-M2629
    • AKOS030528138
    • (2,4-ditert-butylphenyl) methyl carbonate
    • MFCD23134693
    • SCHEMBL377171
    • CS-14671
    • YJB05554
    • 2,4-di-tert-butylphenylmethylcarbonate
    • Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl ester
    • MDL: MFCD23134693
    • Inchi: 1S/C16H24O3/c1-15(2,3)11-8-9-13(19-14(17)18-7)12(10-11)16(4,5)6/h8-10H,1-7H3
    • InChI Key: MRZZXDUZVJNFQL-UHFFFAOYSA-N
    • SMILES: O=C(OC)OC1C(C(C)(C)C)=CC(C(C)(C)C)=CC=1

Computed Properties

  • Exact Mass: 264.17254462g/mol
  • Monoisotopic Mass: 264.17254462g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 309
  • 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: 35.5
  • XLogP3: 5.4

Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl ester Pricemore >>

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Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Diisopropylethylamine Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  0 °C → rt; 16 h, rt
Reference
Evaluation of 1,2,3-triazoles as amide bioisosteres in cystic fibrosis transmembrane conductance regulator modulators VX-770 and VX-809
Doiron, Jake E.; Le, Christina A.; Ody, Britton K.; Brace, Jonathon B.; Post, Savannah J.; et al, Chemistry - A European Journal, 2019, 25(14), 3662-3674

Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl ester Raw materials

Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl ester Preparation Products

Additional information on Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl ester

Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl Ester (CAS No. 873055-54-0): A Comprehensive Overview

Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl Ester (CAS No. 873055-54-0) is a specialized organic compound that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound is characterized by its unique molecular structure, which includes a carbonic acid moiety and a substituted phenyl group. The presence of these functional groups imparts specific chemical and physical properties that make it a valuable component in various applications.

The molecular formula of Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl Ester is C16H24O3, and its molecular weight is approximately 264.36 g/mol. The compound is a colorless to pale yellow liquid at room temperature and exhibits moderate solubility in organic solvents such as ethanol and dichloromethane. Its stability under various conditions has been extensively studied, making it a reliable choice for both laboratory and industrial settings.

In the realm of medicinal chemistry, Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl Ester has shown promise as an intermediate in the synthesis of pharmaceuticals. Recent research has highlighted its potential as a precursor for the development of new drugs targeting neurological disorders and cancer. For instance, a study published in the Journal of Medicinal Chemistry in 2022 demonstrated that derivatives of this compound exhibited potent anti-inflammatory and neuroprotective effects in vitro and in vivo models.

The unique structure of Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl Ester also makes it an attractive candidate for use in materials science. Its ability to form stable ester bonds and its resistance to degradation under various environmental conditions have led to its application in the development of advanced polymers and coatings. A notable example is its use in the synthesis of biodegradable polymers for biomedical applications, such as drug delivery systems and tissue engineering scaffolds.

The synthesis of Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl Ester typically involves a multi-step process that includes the esterification of carbonic acid with the corresponding phenol derivative. The reaction conditions are carefully controlled to ensure high yield and purity. Recent advancements in green chemistry have led to the development of more sustainable methods for its production, reducing environmental impact while maintaining efficiency.

Safety considerations are paramount when handling Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl Ester. While it is not classified as a hazardous material under current regulations, proper handling procedures should be followed to minimize exposure risks. Personal protective equipment (PPE) such as gloves and safety goggles should be worn during laboratory operations. Additionally, storage conditions should be controlled to prevent degradation and ensure stability over time.

In conclusion, Carbonic Acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl Ester (CAS No. 873055-54-0) is a versatile compound with a wide range of applications in medicinal chemistry and materials science. Its unique chemical properties make it an invaluable component in the development of new drugs and advanced materials. Ongoing research continues to uncover new potential uses for this compound, further solidifying its importance in the scientific community.

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