Cas no 154405-98-8 (methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate)

Methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate is a heterocyclic ester compound featuring an oxazole core substituted with a 4-methoxyphenyl group at the 2-position and a methoxycarbonyl moiety at the 4-position. This structure imparts versatility in synthetic chemistry, particularly as a building block for pharmaceuticals and agrochemicals. The electron-rich methoxyphenyl group enhances reactivity in electrophilic substitutions, while the ester functionality allows for further derivatization. Its stability under standard conditions and compatibility with common organic solvents make it suitable for diverse reaction conditions. The compound is valuable in the development of bioactive molecules, offering a balance of reactivity and selectivity for targeted synthesis.
methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate structure
154405-98-8 structure
Product Name:methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate
CAS No:154405-98-8
MF:C12H11NO4
MW:233.220043420792
CID:1333735
PubChem ID:21681351
Update Time:2025-06-23

methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate
    • 154405-98-8
    • AB70375
    • DTXSID80616946
    • SCHEMBL25002914
    • METHYL2-(4-METHOXYPHENYL)OXAZOLE-4-CARBOXYLATE
    • MFCD13190413
    • METHYL 2-(4-METHOXYPHENYL)OXAZOLE-4-CARBOXYLATE
    • MDL: MFCD13190413
    • Inchi: 1S/C12H11NO4/c1-15-9-5-3-8(4-6-9)11-13-10(7-17-11)12(14)16-2/h3-7H,1-2H3
    • InChI Key: DFKBJKUJIGHDGT-UHFFFAOYSA-N
    • SMILES: O1C=C(C(=O)OC)N=C1C1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 233.06883
  • Monoisotopic Mass: 233.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 263
  • 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: 2.2
  • Topological Polar Surface Area: 61.6?2

Experimental Properties

  • PSA: 61.56

methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM317485-1g
Methyl 2-(4-methoxyphenyl)oxazole-4-carboxylate
154405-98-8 95%
1g
$*** 2023-03-30
Chemenu
CM317485-1g
Methyl 2-(4-methoxyphenyl)oxazole-4-carboxylate
154405-98-8 95%
1g
$390 2021-08-18

Additional information on methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate

Methyl 2-(4-Methoxyphenyl)-1,3-Oxazole-4-Carboxylate: A Comprehensive Overview

Methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate, also known by its CAS number CAS No. 154405-98-8, is a compound of significant interest in the fields of organic chemistry and pharmaceutical research. This compound belongs to the class of oxazole derivatives, which have been extensively studied for their diverse applications in drug discovery and material science. The structure of this compound consists of a methyl ester group attached to a 1,3-oxazole ring, which is further substituted with a 4-methoxyphenyl group. This unique combination of functional groups imparts distinctive chemical and biological properties to the molecule.

The synthesis of methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate typically involves a multi-step process that includes nucleophilic substitution, condensation reactions, and esterification. Recent advancements in synthetic methodologies have enabled the efficient preparation of this compound with high purity and yield. Researchers have explored various catalysts and reaction conditions to optimize the synthesis process, making it more environmentally friendly and cost-effective.

One of the most notable applications of this compound lies in its potential as a building block for more complex molecules. The oxazole ring is known for its stability and reactivity under specific conditions, making it an ideal scaffold for drug design. For instance, studies have shown that derivatives of this compound exhibit promising anti-inflammatory and antioxidant activities. These findings suggest that methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate could serve as a lead compound for developing novel therapeutic agents targeting chronic inflammatory diseases.

In addition to its pharmacological applications, this compound has also been investigated for its role in materials science. The presence of the methoxyphenyl group introduces electronic and steric effects that can influence the optical and electronic properties of materials. Recent research has focused on incorporating this compound into polymer matrices to enhance their mechanical strength and thermal stability. Such applications highlight the versatility of methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate beyond traditional chemical synthesis.

The biological evaluation of this compound has revealed interesting insights into its pharmacokinetic profile. Studies conducted in vitro and in vivo have demonstrated moderate absorption and metabolism rates, suggesting that it could be suitable for oral administration in certain therapeutic contexts. Furthermore, preliminary toxicity studies indicate that this compound exhibits low cytotoxicity against normal human cells, which is a crucial factor for its potential use in drug development.

From an environmental perspective, the biodegradability and eco-toxicity of methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate have been assessed under controlled laboratory conditions. Results indicate that the compound undergoes slow degradation under aerobic conditions, raising concerns about its long-term impact on aquatic ecosystems. However, ongoing research aims to develop sustainable methods for its production and disposal to mitigate environmental risks.

In conclusion, methyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate (CAS No. 154405-98-8) is a versatile compound with promising applications in various fields. Its unique chemical structure and favorable biological properties make it an attractive candidate for further research and development. As scientific advancements continue to unfold, this compound is expected to play an increasingly important role in both academic and industrial settings.

Recommended suppliers
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd