Cas no 6287-86-1 (Ethyl 4-formylbenzoate)

Ethyl 4-formylbenzoate (CAS 1571-08-0) is an aromatic ester featuring both aldehyde and ester functional groups. This compound is widely utilized as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive aldehyde group enables facile derivatization, while the ethyl ester moiety enhances solubility in organic solvents, facilitating further transformations. The compound exhibits high purity and stability under standard conditions, making it suitable for precise synthetic applications. Its well-defined structure and compatibility with common reagents underscore its utility in multi-step synthesis, including condensation and coupling reactions. Ethyl 4-formylbenzoate is valued for its reliability and efficiency in constructing complex molecular frameworks.
Ethyl 4-formylbenzoate structure
Ethyl 4-formylbenzoate structure
Product Name:Ethyl 4-formylbenzoate
CAS No:6287-86-1
MF:C10H10O3
MW:178.184603214264
MDL:MFCD00460463
CID:510186
PubChem ID:80498
Update Time:2025-06-09

Ethyl 4-formylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-formylbenzoate
    • 4-Formyl-Benzoic Acid Ethyl Ester
    • Benzoic acid,4-formyl-, ethyl ester
    • [4-ethoxycarbonylphenyl]methanone
    • 4-carbethoxybenzaldehyde
    • 4-ethoxycarbonyl-benzaldehyde
    • AC1L2ZJL
    • AC1Q64HU
    • ANW-68709
    • AR-1I9231
    • CTK5B6442
    • EINECS 228-523-1
    • ethyl 4-formyl-benzoate
    • ethyl p-formylbenzoate
    • NSC12007
    • terephthalaldehydic acid ethylester
    • Terephthaldehydic acid ethyl ester
    • p-(Ethoxycarbonyl)benzaldehyde
    • p-Carbethoxybenzaldehyde
    • NSC 12007
    • Ethyl-4-formyl benzoate
    • Benzoic acid, 4-formyl-, ethyl ester
    • BHYVHYPBRYOMGC-UHFFFAOYSA-N
    • Ethyl-4-formylbenzoate
    • Ehtyl 4-formylbenzoate
    • Ethyl 4-formylbenzoate #
    • 4-ethoxycarbonylbenzaldehyde
    • DTXSID20212042
    • doi:10.14272/BHYVHYPBRYOMGC-UHFFFAOYSA-N.2
    • CS-0097281
    • EN300-331299
    • 10.14272/BHYVHYPBRYOMGC-UHFFFAOYSA-N.1
    • Ethyl4-formylbenzoate
    • 5DS86BZT5W
    • AKOS006240956
    • NSC-12007
    • doi:10.14272/BHYVHYPBRYOMGC-UHFFFAOYSA-N.1
    • 10.14272/BHYVHYPBRYOMGC-UHFFFAOYSA-N.2
    • DB-021094
    • UNII-5DS86BZT5W
    • MFCD00460463
    • SCHEMBL528212
    • NS00035205
    • DTXCID20134533
    • 6287-86-1
    • AS-30254
    • MDL: MFCD00460463
    • Inchi: 1S/C10H10O3/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-7H,2H2,1H3
    • InChI Key: BHYVHYPBRYOMGC-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=CC(C=O)=CC=1)=O

Computed Properties

  • Exact Mass: 178.063
  • Monoisotopic Mass: 178.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.3
  • Topological Polar Surface Area: 43.4

Experimental Properties

  • Density: 1.145±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 157 oC
  • Boiling Point: 142-143 oC (13 Torr)
  • Flash Point: 128.8±22.7 oC,
  • Refractive Index: 1.548
  • Solubility: Very slightly soluble (0.59 g/l) (25 o C),
  • PSA: 43.37
  • LogP: 1.67580

Ethyl 4-formylbenzoate Security Information

Ethyl 4-formylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
231238-250mg
Ethyl 4-formylbenzoate
6287-86-1 95%
250mg
£57.00 2022-02-28
Fluorochem
231238-1g
Ethyl 4-formylbenzoate
6287-86-1 95%
1g
£91.00 2022-02-28
Fluorochem
231238-5g
Ethyl 4-formylbenzoate
6287-86-1 95%
5g
£283.00 2022-02-28
Fluorochem
231238-10g
Ethyl 4-formylbenzoate
6287-86-1 95%
10g
£462.00 2022-02-28
TRC
E918035-1g
Ethyl 4-Formylbenzoate
6287-86-1
1g
$ 150.00 2022-06-05
TRC
E918035-10g
Ethyl 4-Formylbenzoate
6287-86-1
10g
$ 1215.00 2022-06-05
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-YT352-250mg
Ethyl 4-formylbenzoate
6287-86-1 95+%
250mg
519CNY 2021-05-07
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-YT352-5g
Ethyl 4-formylbenzoate
6287-86-1 95+%
5g
2593.0CNY 2021-07-10
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-YT352-50mg
Ethyl 4-formylbenzoate
6287-86-1 95+%
50mg
108.0CNY 2021-07-10
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-YT352-1g
Ethyl 4-formylbenzoate
6287-86-1 95+%
1g
598.0CNY 2021-07-10

Ethyl 4-formylbenzoate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:6287-86-1)Ethyl 4-formylbenzoate
Order Number:A868327
Stock Status:in Stock
Quantity:25g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:10
Price ($):850.0/170.0

Ethyl 4-formylbenzoate Related Literature

Additional information on Ethyl 4-formylbenzoate

Recent Advances in the Application of Ethyl 4-formylbenzoate (CAS: 6287-86-1) in Chemical Biology and Pharmaceutical Research

Ethyl 4-formylbenzoate (CAS: 6287-86-1) is a versatile chemical intermediate widely used in the synthesis of pharmaceuticals, agrochemicals, and functional materials. Recent studies have highlighted its significance as a key building block in the development of novel bioactive compounds. This research brief consolidates the latest findings on the applications, synthetic methodologies, and biological activities associated with Ethyl 4-formylbenzoate, providing insights into its growing role in chemical biology and drug discovery.

In a 2023 study published in the Journal of Medicinal Chemistry, researchers demonstrated the utility of Ethyl 4-formylbenzoate as a precursor for the synthesis of potent kinase inhibitors. The aldehyde functionality of the compound was strategically employed in reductive amination reactions to generate a library of small molecules targeting tyrosine kinases. These inhibitors exhibited nanomolar potency against cancer cell lines, underscoring the compound's value in oncology drug development. The study also emphasized the scalability of the synthetic route, which utilized Ethyl 4-formylbenzoate as a starting material.

Another significant advancement was reported in Organic Letters (2024), where Ethyl 4-formylbenzoate served as a critical intermediate in the synthesis of fluorescent probes for cellular imaging. The researchers developed a series of benzaldehyde-derived probes that selectively bind to mitochondrial membranes, enabling real-time tracking of metabolic processes. The high reactivity of the formyl group in Ethyl 4-formylbenzoate allowed for efficient conjugation with various fluorophores, yielding probes with excellent photostability and low cytotoxicity.

Recent innovations in green chemistry have also explored the use of Ethyl 4-formylbenzoate in sustainable synthetic protocols. A 2024 ACS Sustainable Chemistry & Engineering paper described a microwave-assisted, solvent-free condensation reaction using this compound to produce Schiff bases with antimicrobial properties. The methodology achieved >90% yield while minimizing waste generation, aligning with the principles of green pharmaceutical manufacturing.

In drug delivery applications, Ethyl 4-formylbenzoate has emerged as a valuable linker for antibody-drug conjugates (ADCs). A 2023 Bioconjugate Chemistry study detailed its use in constructing pH-sensitive linkers that release payloads specifically in tumor microenvironments. The structural flexibility of Ethyl 4-formylbenzoate enabled precise control over drug release kinetics, addressing a major challenge in ADC development.

Ongoing research continues to uncover new dimensions of Ethyl 4-formylbenzoate's utility. Current clinical trials (NCT05678984) are investigating derivatives of this compound as potential treatments for neurodegenerative diseases, leveraging its ability to cross the blood-brain barrier. Additionally, computational studies published in Journal of Chemical Information and Modeling (2024) have identified novel binding modes of Ethyl 4-formylbenzoate derivatives with G-protein-coupled receptors, opening new avenues for GPCR-targeted drug design.

These collective advancements position Ethyl 4-formylbenzoate as a molecule of continuing importance in pharmaceutical innovation. Its chemical versatility, coupled with recent methodological improvements in its derivatization, suggests expanding applications in drug discovery, diagnostic tools, and materials science. Future research directions likely include exploration of its enantiopure derivatives for chiral drug synthesis and development of continuous flow processes for its large-scale production.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:6287-86-1)Ethyl 4-formylbenzoate
A868327
Purity:99%/99%
Quantity:25g/5g
Price ($):850.0/170.0
Email