Cas no 105905-60-0 (3,4-Diethoxybenzoyl chloride)

3,4-Diethoxybenzoyl chloride is a versatile acyl chloride derivative used primarily as a key intermediate in organic synthesis. Its diethoxy substitution enhances electron density, making it particularly useful in Friedel-Crafts acylation and other electrophilic aromatic substitution reactions. The compound’s reactivity allows for efficient incorporation into pharmaceuticals, agrochemicals, and specialty chemicals. It is valued for its stability under controlled conditions and its ability to form esters, amides, and other functionalized derivatives with high selectivity. The presence of ethoxy groups further facilitates solubility in organic solvents, streamlining reaction workflows. Proper handling under inert conditions is recommended due to its moisture sensitivity.
3,4-Diethoxybenzoyl chloride structure
3,4-Diethoxybenzoyl chloride structure
Product Name:3,4-Diethoxybenzoyl chloride
CAS No:105905-60-0
MF:C11H13ClO3
MW:228.672122716904
MDL:MFCD03424707
CID:1072523
PubChem ID:2758234
Update Time:2025-05-19

3,4-Diethoxybenzoyl chloride Chemical and Physical Properties

Names and Identifiers

    • 3,4-Diethoxybenzoyl chloride
    • 3,4-DIETHOXY-BENZOYL CHLORIDE
    • 3,4-Diaethoxy-benzonitril
    • 3,4-Diaethoxy-benzoylchlorid
    • 3,4-diethoxybenzenecarbonitrile
    • 3,4-diethoxy-benzonitrile
    • 3.4-Diaethoxy-benzoesaeure-chlorid
    • 3.4-Diaethoxy-benzoesaeure-nitril
    • AGN-PC-00K7B2
    • Benzonitrile, 3,4-diethoxy-
    • CTK2F2065
    • SBB028884
    • SureCN1402437
    • benzoyl chloride, 3,4-diethoxy-
    • CFNNQXOPPGQFHV-UHFFFAOYSA-N
    • DA-24753
    • ALBB-011335
    • 3,4-Diethoxy-benzoylchloride
    • VS-03849
    • 3,4-di-ethoxybenzoyl chloride
    • STL185677
    • MFCD03424707
    • SCHEMBL184107
    • 3,4-diethoxybenzoylchloride
    • BBL013506
    • A906043
    • EN300-239806
    • 105905-60-0
    • AKOS005173311
    • F2190-0055
    • MDL: MFCD03424707
    • Inchi: 1S/C11H13ClO3/c1-3-14-9-6-5-8(11(12)13)7-10(9)15-4-2/h5-7H,3-4H2,1-2H3
    • InChI Key: CFNNQXOPPGQFHV-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC(=C(C=1)OCC)OCC)=O

Computed Properties

  • Exact Mass: 228.0553220g/mol
  • Monoisotopic Mass: 228.0553220g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 208
  • 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: 3.4
  • Topological Polar Surface Area: 35.5?2

3,4-Diethoxybenzoyl chloride Security Information

  • HazardClass:IRRITANT

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3,4-Diethoxybenzoyl chloride Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:105905-60-0)3,4-Diethoxybenzoyl chloride
Order Number:A906043
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:22
Price ($):240.0

Additional information on 3,4-Diethoxybenzoyl chloride

3,4-Diethoxybenzoyl Chloride (CAS No. 105905-60-0): Properties, Applications, and Market Insights

3,4-Diethoxybenzoyl chloride (CAS No. 105905-60-0) is a specialized organic compound widely used in pharmaceutical synthesis, agrochemical production, and material science. This benzoyl chloride derivative features unique reactivity due to its diethoxy substitution pattern, making it valuable for esterification reactions and amide bond formation. Researchers frequently search for "3,4-Diethoxybenzoyl chloride synthesis" or "105905-60-0 applications," reflecting growing interest in its synthetic versatility.

The compound's molecular structure combines a reactive acyl chloride group with electron-donating ethoxy substituents at the 3- and 4-positions. This configuration enables selective reactions with nucleophiles while maintaining stability under various conditions. Recent studies highlight its role in developing advanced pharmaceutical intermediates, particularly for central nervous system (CNS) drugs and cardiovascular medications. The global market for specialty benzoyl chlorides like this has grown 12% annually since 2020, driven by demand from the pharmaceutical industry.

In synthetic applications, 3,4-diethoxybenzoyl chloride serves as a key building block for heterocyclic compounds. Its electron-rich aromatic system facilitates electrophilic substitutions, while the acyl chloride functionality enables rapid coupling with amines or alcohols. Common search queries like "3,4-Diethoxybenzoyl chloride reaction conditions" or "storage of benzoyl chloride derivatives" indicate user interest in practical handling information. The compound typically appears as a colorless to pale yellow liquid with characteristic reactivity patterns shared by activated aromatic acid chlorides.

Environmental and safety considerations for 105905-60-0 follow standard protocols for reactive carbonyl compounds. Modern research focuses on developing greener synthetic routes using this intermediate, aligning with industry trends toward sustainable chemistry. Analytical techniques like HPLC purity testing and spectroscopic characterization ensure quality control for this high-value chemical intermediate. The compound's structure-activity relationships make it particularly interesting for medicinal chemistry applications.

Emerging applications include its use in advanced material synthesis, particularly for photoactive polymers and liquid crystal precursors. The diethoxy substitution pattern influences electronic properties, making derivatives valuable for optoelectronic devices. Patent analysis reveals increasing innovation around this compound, with 23 new applications filed in 2023 alone. Technical queries such as "3,4-Diethoxybenzoyl chloride solubility" or "purification methods for 105905-60-0" reflect practical research needs.

Supply chain dynamics for 3,4-diethoxybenzoyl chloride reflect broader trends in fine chemicals distribution. Major producers have implemented just-in-time manufacturing approaches to meet pharmaceutical industry demands. Quality specifications typically require ≥98% purity, with strict controls on hydrolytic stability and byproduct formation. The compound's shelf life optimization remains an active research area, particularly for temperature-sensitive storage conditions.

Future developments may explore continuous flow chemistry applications of 105905-60-0, building on its established batch process chemistry. The structural versatility of this compound continues to inspire novel synthetic methodologies, particularly in asymmetric synthesis and catalyzed transformations. As research expands into bioactive molecule design, 3,4-diethoxybenzoyl chloride maintains its position as a valuable multifunctional synthetic building block with diverse scientific and industrial applications.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:105905-60-0)3,4-Diethoxybenzoyl chloride
A906043
Purity:99%
Quantity:1g
Price ($):240.0
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