Cas no 223128-33-4 ((4-Isopropylphenoxy)acetyl chloride)

(4-Isopropylphenoxy)acetyl chloride is a reactive organic compound primarily used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its key advantage lies in its acyl chloride functional group, which facilitates efficient acylation reactions, enabling the introduction of the (4-isopropylphenoxy)acetyl moiety into target molecules. The isopropylphenoxy group contributes to enhanced lipophilicity, making it valuable in modifying the physicochemical properties of derived compounds. This reagent is particularly useful in controlled reactions where high selectivity and yield are required. Proper handling under anhydrous conditions is essential due to its moisture sensitivity. Its versatility and reactivity make it a preferred choice for advanced synthetic applications.
(4-Isopropylphenoxy)acetyl chloride structure
223128-33-4 structure
Product Name:(4-Isopropylphenoxy)acetyl chloride
CAS No:223128-33-4
MF:C11H13ClO2
MW:212.672722578049
MDL:MFCD02628421
CID:92487
PubChem ID:21209244
Update Time:2025-06-08

(4-Isopropylphenoxy)acetyl chloride Chemical and Physical Properties

Names and Identifiers

    • (4-Isopropylphenoxy)acetyl chloride
    • 2-(4-propan-2-ylphenoxy)acetyl chloride
    • 2-(4-isopropylphenoxy)acetyl chloride
    • F2190-0105
    • isopropylphenoxyacetyl chloride
    • p-isopropylphenoxyacetyl chloride
    • Acetylchloride, [4-(1-methylethyl)phenoxy]- (9CI)
    • 4-Isopropylphenoxyacetyl chloride
    • 2-[4-(propan-2-yl)phenoxy]acetyl chloride
    • 4-Iso propyl phenoxy acetyl chloride
    • EN300-236287
    • [4-(Propan-2-yl)phenoxy]acetyl chloride
    • 4-Isopropyl Phenoxy Acetyl Chloride
    • VS-04229
    • Acetyl chloride [4-(1-methylethyl)phenoxy]
    • AKOS003226575
    • YGVLHWFQKYVLFY-UHFFFAOYSA-N
    • FT-0683327
    • DTXSID40611391
    • MFCD02628421
    • SCHEMBL6717854
    • 223128-33-4
    • ALBB-011210
    • (4-Isopropyl-phenoxy)-acetyl chloride
    • Acetyl chloride, [4-(1-methylethyl)phenoxy]-
    • STL196753
    • BBL014188
    • MDL: MFCD02628421
    • Inchi: 1S/C11H13ClO2/c1-8(2)9-3-5-10(6-4-9)14-7-11(12)13/h3-6,8H,7H2,1-2H3
    • InChI Key: YGVLHWFQKYVLFY-UHFFFAOYSA-N
    • SMILES: ClC(COC1C=CC(=CC=1)C(C)C)=O

Computed Properties

  • Exact Mass: 212.06000
  • Monoisotopic Mass: 212.0604073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 184
  • 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: nothing
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Color/Form: Pink or yellow or white liquid
  • Density: 1.128±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 276.8±23.0 oC (760 Torr),
  • Flash Point: 103.2±23.1 oC,
  • Refractive Index: 1.5195
  • Solubility: Very slightly soluble (0.23 g/l) (25 o C),
  • Water Partition Coefficient: Reacts with water.
  • PSA: 26.30000
  • LogP: 2.95420
  • Solubility: React with water
  • Sensitiveness: Moisture Sensitive

(4-Isopropylphenoxy)acetyl chloride Security Information

  • Hazardous Material transportation number:UN3265
  • Packing Group:II
  • Hazard Level:8
  • HazardClass:8
  • PackingGroup:II
  • Packing Group:II
  • Safety Term:8

(4-Isopropylphenoxy)acetyl chloride 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%

(4-Isopropylphenoxy)acetyl chloride Pricemore >>

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(4-Isopropylphenoxy)acetyl chloride Production Method

Additional information on (4-Isopropylphenoxy)acetyl chloride

Professional Introduction to (4-Isopropylphenoxy)acetyl Chloride (CAS No. 223128-33-4)

(4-Isopropylphenoxy)acetyl chloride is a versatile and highly reactive chemical compound that has garnered significant attention in the field of pharmaceutical and medicinal chemistry. With a CAS number of 223128-33-4, this compound serves as a crucial intermediate in the synthesis of various bioactive molecules, particularly in the development of novel therapeutic agents. Its unique structural features, including the presence of an acetyl chloride functional group and a substituted phenyl ring, make it an invaluable tool for chemists and researchers aiming to explore new chemical spaces and drug candidates.

The compound's molecular structure consists of a phenyl ring substituted with an isopropyl group at the para position relative to the acetyl chloride moiety. This specific arrangement imparts distinct electronic and steric properties, which can be leveraged to fine-tune the reactivity and selectivity of synthetic reactions. The acetyl chloride functionality, in particular, is known for its high reactivity towards nucleophiles, making it an excellent choice for introducing acetyl groups into larger molecular frameworks. This property has been widely exploited in the synthesis of peptidomimetics, heterocyclic compounds, and other pharmacologically relevant molecules.

In recent years, there has been a surge in research focused on developing novel strategies for modulating biological pathways through small molecule intervention. The (4-Isopropylphenoxy)acetyl chloride has emerged as a key building block in this endeavor. For instance, studies have demonstrated its utility in constructing complex scaffolds that mimic natural products with potent biological activities. One notable area of interest has been its application in the synthesis of kinase inhibitors, which are critical targets for treating various cancers and inflammatory diseases. The ability to precisely incorporate the (4-isopropylphenoxy)acetyl moiety into these inhibitors has led to the discovery of several lead compounds with promising preclinical profiles.

Moreover, the reactivity of (4-Isopropylphenoxy)acetyl chloride has been harnessed in the development of novel catalytic systems. Researchers have explored its use as a coupling agent in transition metal-catalyzed reactions, where it serves as an efficient acyl donor. These reactions have found applications in both academic research and industrial processes, enabling the rapid assembly of complex molecular architectures with high yields and selectivity. The compound's compatibility with various catalytic systems underscores its versatility as a synthetic intermediate.

Advances in computational chemistry have further enhanced our understanding of how (4-Isopropylphenoxy)acetyl chloride behaves in different chemical environments. Molecular modeling studies have revealed insights into its interaction with biological targets, providing valuable guidance for rational drug design. These computational approaches have been complemented by experimental investigations, which have validated many of the theoretical predictions regarding its reactivity and mechanism of action.

The pharmaceutical industry has also recognized the potential of this compound as a starting material for large-scale synthesis. Its stability under various storage conditions and compatibility with standard purification techniques make it an attractive choice for industrial applications. Several companies have incorporated it into their catalogues as a high-quality chemical building block, ensuring researchers worldwide have access to this valuable resource.

In conclusion, (4-Isopropylphenoxy)acetyl chloride (CAS No. 223128-33-4) represents a significant advancement in synthetic chemistry and medicinal chemistry. Its unique structural features and reactivity make it an indispensable tool for researchers developing new therapeutic agents. As our understanding of biological systems continues to evolve, the demand for innovative synthetic strategies will only grow, ensuring that compounds like this will remain at the forefront of scientific discovery.

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