Cas no 22286-82-4 (Ethyl Atropate)

Ethyl Atropate is an ester derivative of atropic acid, commonly utilized in organic synthesis and pharmaceutical applications. Its key advantages include its role as a versatile intermediate in the production of fine chemicals, particularly in the synthesis of active pharmaceutical ingredients (APIs) and fragrances. The compound exhibits favorable stability under standard conditions, facilitating handling and storage. Its ester functionality allows for selective reactivity, enabling controlled modifications in synthetic pathways. Ethyl Atropate is also valued for its compatibility with a range of solvents and reagents, making it suitable for diverse reaction conditions. These properties underscore its utility in research and industrial chemistry.
Ethyl Atropate structure
Ethyl Atropate structure
Product Name:Ethyl Atropate
CAS No:22286-82-4
MF:C11H12O2
MW:176.211783409119
MDL:MFCD00026862
CID:52030
PubChem ID:89651
Update Time:2025-06-13

Ethyl Atropate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-phenylacrylate
    • Ethyl 2-phenylpropenoate
    • Ethyl methylenephenylacetate
    • EthylAtropate
    • ethyl 2-phenylprop-2-enoate
    • UNII-PT7338P3HC
    • PT7338P3HC
    • 22286-82-4
    • Benzeneacetic acid, alpha-methylene-, ethyl ester
    • CS-0151914
    • 2-phenyl-acrylic acid ethyl ester
    • A878624
    • FT-0638209
    • AKOS016001490
    • ETHYL2-PHENYLACRYLATE
    • DTXSID7066776
    • Ethyl 2-phenylpropenoate; Ethyl methylenephenylacetate
    • MFCD00026862
    • EINECS 244-892-1
    • SCHEMBL316956
    • DS-12322
    • SY106427
    • NS00027120
    • BOIWYTYYWPXGAT-UHFFFAOYSA-N
    • 2-Phenylacrylic Acid Ethyl Ester
    • J-014624
    • ETHYL .ALPHA.-METHYLENEBENZENEACETATE
    • EN300-67239
    • Benzeneacetic acid, .alpha.-methylene-, ethyl ester
    • Ethyl atropate
    • Ethyl altropate
    • DB-045865
    • Ethyl Atropate
    • MDL: MFCD00026862
    • Inchi: 1S/C11H12O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
    • InChI Key: BOIWYTYYWPXGAT-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(=C)C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 176.08400
  • Monoisotopic Mass: 176.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 190
  • 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: 26.3A^2
  • XLogP3: 2.7

Experimental Properties

  • Boiling Point: 123-125°C 16mm
  • Stability/Shelf Life: Unstable in Fridge. Store at -20!!!
  • PSA: 26.30000
  • LogP: 2.26290

Ethyl Atropate Security Information

Ethyl Atropate Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Ethyl Atropate Pricemore >>

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Ethyl Atropate Production Method

Ethyl Atropate Related Literature

Additional information on Ethyl Atropate

Ethyl Atropate (CAS No. 22286-82-4): A Comprehensive Overview

Ethyl Atropate, chemically identified by the CAS number 22286-82-4, is a compound of significant interest in the field of pharmaceutical chemistry and biomedical research. This compound, belonging to the class of muscarinic receptor antagonists, has garnered attention due to its diverse applications and the latest advancements in its study. The primary pharmacological action of Ethyl Atropate is its ability to block muscarinic acetylcholine receptors, which makes it a valuable tool in both clinical and experimental settings.

The chemical structure of Ethyl Atropate consists of an ethyl ester derivative of atropine, featuring a chiral center that contributes to its pharmacological properties. This structural feature is crucial in determining its interaction with biological targets, particularly the muscarinic receptors found in various tissues and organs. The compound's molecular formula, C16H21NO3, underscores its complexity and the intricate balance of atoms that contribute to its biological activity.

In recent years, Ethyl Atropate has been extensively studied for its potential therapeutic applications. One of the most notable areas of research has been its use as an anticholinergic agent. Anticholinergic drugs are widely employed in the treatment of conditions such as urinary incontinence, irritable bowel syndrome, and certain types of glaucoma. The mechanism by which Ethyl Atropate exerts its effects involves the competitive inhibition of muscarinic receptors, thereby reducing excessive cholinergic activity.

Recent studies have also explored the role of Ethyl Atropate in neurodegenerative disorders. Research indicates that muscarinic receptor dysfunction is associated with conditions like Alzheimer's disease and Parkinson's disease. By modulating muscarinic receptor activity, Ethyl Atropate may offer a potential therapeutic strategy for these debilitating conditions. The compound's ability to cross the blood-brain barrier further enhances its appeal as a candidate for central nervous system (CNS) therapies.

The pharmacokinetics of Ethyl Atropate have been subjects of detailed investigation. Its absorption, distribution, metabolism, and excretion (ADME) profiles are critical factors in determining its efficacy and safety profile. Studies have shown that Ethyl Atropate exhibits moderate oral bioavailability and a relatively short half-life, which necessitates careful dosing regimens to maintain therapeutic levels while minimizing side effects.

One of the key challenges in the development of muscarinic receptor antagonists is the potential for off-target effects. Ethyl Atropate, while primarily targeting muscarinic receptors, may also interact with other biological targets due to its structural similarities. This can lead to side effects such as dry mouth, blurred vision, and constipation. However, ongoing research aims to optimize the compound's selectivity to reduce these adverse effects while maintaining its therapeutic benefits.

The synthesis of Ethyl Atropate involves multi-step organic reactions that require precise control over reaction conditions and reagent selection. Advanced synthetic methodologies have been developed to improve yield and purity, ensuring that the final product meets pharmaceutical standards. These synthetic routes often involve protecting group strategies and catalytic processes to achieve high selectivity and efficiency.

In conclusion, Ethyl Atropate (CAS No. 22286-82-4) is a compound with significant potential in pharmaceutical applications. Its role as a muscarinic receptor antagonist has been well-documented, with ongoing research exploring its use in treating various neurological and gastrointestinal disorders. The compound's complex structure and pharmacological profile make it a subject of continuous investigation, aiming to harness its therapeutic potential while addressing challenges such as selectivity and side effects.

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