Cas no 877997-98-3 (Phenyl 2-hydroxy-4,5-dimethoxybenzoate)

Phenyl 2-hydroxy-4,5-dimethoxybenzoate is a synthetic benzoate derivative characterized by its hydroxyl and dimethoxy functional groups. This compound is of interest in organic synthesis and pharmaceutical research due to its potential as an intermediate in the preparation of more complex molecules. The presence of electron-donating methoxy groups enhances its reactivity in electrophilic aromatic substitution reactions, while the phenolic hydroxyl group offers additional sites for functionalization. Its well-defined structure and purity make it suitable for applications requiring precise molecular modifications. The compound is typically utilized in controlled laboratory settings, where its stability and solubility in common organic solvents facilitate further derivatization or analytical studies.
Phenyl 2-hydroxy-4,5-dimethoxybenzoate structure
877997-98-3 structure
Product Name:Phenyl 2-hydroxy-4,5-dimethoxybenzoate
CAS No:877997-98-3
MF:C15H14O5
MW:274.268664836884
MDL:MFCD08063359
CID:858216
PubChem ID:53424183
Update Time:2025-05-20

Phenyl 2-hydroxy-4,5-dimethoxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Phenyl 2-hydroxy-4,5-dimethoxybenzoate
    • 2-hydroxy-4,5-dimethoxybenzoic acid phenyl ester
    • JXURAFZSOJQXKD-UHFFFAOYSA-N
    • BCP18595
    • SY108239
    • AX8015947
    • X5044
    • AKOS016002134
    • F14808
    • DS-15438
    • DB-077107
    • SCHEMBL1041629
    • Phenyl2-hydroxy-4,5-dimethoxybenzoate
    • 877997-98-3
    • MFCD08063359
    • CKB99798
    • DTXSID80698444
    • CS-0150609
    • MDL: MFCD08063359
    • Inchi: 1S/C15H14O5/c1-18-13-8-11(12(16)9-14(13)19-2)15(17)20-10-6-4-3-5-7-10/h3-9,16H,1-2H3
    • InChI Key: JXURAFZSOJQXKD-UHFFFAOYSA-N
    • SMILES: O=C(C1C(O)=CC(OC)=C(OC)C=1)OC1C=CC=CC=1

Computed Properties

  • Exact Mass: 274.08400
  • Monoisotopic Mass: 274.08412354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 313
  • 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: 3.5
  • Topological Polar Surface Area: 65

Experimental Properties

  • Boiling Point: 431.2±45.0°C at 760 mmHg
  • PSA: 64.99000
  • LogP: 2.62860

Phenyl 2-hydroxy-4,5-dimethoxybenzoate Security Information

Phenyl 2-hydroxy-4,5-dimethoxybenzoate Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). 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

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Phenyl 2-hydroxy-4,5-dimethoxybenzoate Pricemore >>

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abcr
AB464113-5 g
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abcr
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Phenyl 2-hydroxy-4,5-dimethoxybenzoate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Water ;  3 h, reflux; reflux → rt
1.2 Reagents: Methanol Solvents: Water ;  30 min, rt
Reference
Synthesis of acotiamide hydrochloride trihydrate
Bai, Xiaoguang; et al, Zhongguo Yiyao Gongye Zazhi, 2015, 46(3), 230-232

Production Method 2

Reaction Conditions
1.1 Reagents: Aluminum chloride Solvents: Dimethylformamide ,  Toluene ;  rt; 40 min, < 40 °C
2.1 Reagents: Sulfuric acid Solvents: Water ;  3 h, reflux; reflux → rt
2.2 Reagents: Methanol Solvents: Water ;  30 min, rt
Reference
Synthesis of acotiamide hydrochloride trihydrate
Bai, Xiaoguang; et al, Zhongguo Yiyao Gongye Zazhi, 2015, 46(3), 230-232

Phenyl 2-hydroxy-4,5-dimethoxybenzoate Raw materials

Phenyl 2-hydroxy-4,5-dimethoxybenzoate Preparation Products

Phenyl 2-hydroxy-4,5-dimethoxybenzoate Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:877997-98-3)2-羥基-4,5-二甲氧基苯甲酸苯酯
Order Number:LE8311020
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:46
Price ($):discuss personally

Additional information on Phenyl 2-hydroxy-4,5-dimethoxybenzoate

Phenyl 2-Hydroxy-4,5-Dimethoxybenzoate: A Comprehensive Overview

Phenyl 2-hydroxy-4,5-dimethoxybenzoate (CAS No. 877997-98-3) is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which includes a phenyl group attached to a benzoate moiety with hydroxyl and methoxy substituents. The presence of these functional groups imparts distinctive chemical and physical properties to the molecule, making it a valuable compound for various applications.

The benzoate group in Phenyl 2-hydroxy-4,5-dimethoxybenzoate serves as a versatile platform for further chemical modifications. Recent studies have highlighted its potential in the synthesis of advanced materials, such as stimuli-responsive polymers and bioactive compounds. The hydroxyl group at the 2-position and the methoxy groups at the 4 and 5 positions contribute to the compound's ability to form hydrogen bonds and participate in various chemical reactions. These properties make it an ideal candidate for applications in drug delivery systems and sensors.

One of the most promising areas of research involving Phenyl 2-hydroxy-4,5-dimethoxybenzoate is its use in the development of bioactive compounds. Scientists have explored its potential as a precursor for synthesizing anti-inflammatory and antioxidant agents. For instance, recent findings suggest that derivatives of this compound exhibit significant activity against inflammatory pathways, making them potential candidates for treating conditions such as arthritis and neurodegenerative diseases.

In addition to its biological applications, Phenyl 2-hydroxy-4,5-dimethoxybenzoate has also been studied for its role in the synthesis of stimuli-responsive materials. By incorporating this compound into polymer networks, researchers have developed materials that can respond to external stimuli such as temperature, pH, and light. These materials hold great promise for applications in smart drug delivery systems and adaptive optics.

The synthesis of Phenyl 2-hydroxy-4,5-dimethoxybenzoate typically involves multi-step organic reactions. A common approach includes the esterification of a suitable benzoic acid derivative with phenol or its derivatives. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses of this compound. For example, the use of enzymatic catalysts has been reported to significantly improve the yield and selectivity of the reaction.

From an analytical standpoint, Phenyl 2-hydroxy-4,5-dimethoxybenzoate has been extensively studied using modern spectroscopic techniques such as NMR and IR spectroscopy. These studies have provided valuable insights into the molecular structure and intermolecular interactions within this compound. Furthermore, computational chemistry methods have been employed to predict its electronic properties and reactivity under various conditions.

In conclusion, Phenyl 2-hydroxy-4,5-dimethoxybenzoate (CAS No. 877997-98-3) is a multifaceted compound with a wide range of potential applications in chemistry and materials science. Its unique structure and functional groups make it an attractive target for further research and development. As new findings emerge from ongoing studies, this compound is expected to play an increasingly important role in advancing technologies across various industries.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:877997-98-3)2-羥基-4,5-二甲氧基苯甲酸苯酯
LE8311020
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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