Cas no 126120-83-0 (4-Acetyl-2,2-difluoro-1,3-benzodioxole)

4-Acetyl-2,2-difluoro-1,3-benzodioxole is a fluorinated aromatic compound featuring a benzodioxole core with acetyl and difluoro substituents. Its unique structure imparts enhanced stability and reactivity, making it valuable in pharmaceutical and agrochemical synthesis. The difluoro substitution improves metabolic resistance and bioavailability, while the acetyl group offers a versatile handle for further functionalization. This compound is particularly useful as an intermediate in the development of bioactive molecules, where its electron-withdrawing properties can influence reaction pathways. Its high purity and well-defined chemical properties ensure consistent performance in synthetic applications. Suitable for research and industrial use, it adheres to stringent quality standards.
4-Acetyl-2,2-difluoro-1,3-benzodioxole structure
126120-83-0 structure
Product Name:4-Acetyl-2,2-difluoro-1,3-benzodioxole
CAS No:126120-83-0
MF:C9H6F2O3
MW:200.138949871063
MDL:MFCD08458053
CID:63805
PubChem ID:10987257
Update Time:2025-06-14

4-Acetyl-2,2-difluoro-1,3-benzodioxole Chemical and Physical Properties

Names and Identifiers

    • 1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethanone
    • 1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanone
    • (2,2-difluoro-1,3-benzodioxol-4-yl)ethanone
    • 4-Acetyl-2,2-difluoro-1,3-benzodioxole
    • Ethanone,1-(2,2-difluoro-1,3-benzodioxol-4-yl)
    • PC1954
    • 4-ACETYL-2,2-DIFLUORO-1,3-BENZODIOXOLE 98
    • 1-(2,2-Difluoro-1,3-benzodioxol-4-yl)ethan-1-one, 2',3'-(Difluoromethylenedioxy)acetophenone
    • DTXSID60450860
    • 1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)ethan-1-one
    • SCHEMBL1902302
    • PS-11336
    • Ethanone, 1-(2,2-difluoro-1,3-benzodioxol-4-yl)-
    • 126120-83-0
    • FT-0690589
    • MFCD08458053
    • 1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethan-1-one
    • CS-0443683
    • 1-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]ethanone
    • 4-ACETYL-2,2-DIFLUORO-1,3-BENZODIOXOLE98
    • A805509
    • AKOS022185293
    • 4-Acetyl-2,2-difluoro-1,3-benzodioxole 98%
    • MDL: MFCD08458053
    • Inchi: 1S/C9H6F2O3/c1-5(12)6-3-2-4-7-8(6)14-9(10,11)13-7/h2-4H,1H3
    • InChI Key: FXQWZAIGWRETAQ-UHFFFAOYSA-N
    • SMILES: FC1(OC2C=CC=C(C(C)=O)C=2O1)F

Computed Properties

  • Exact Mass: 200.02900
  • Monoisotopic Mass: 200.02850037g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 254
  • 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: 35.5?2

Experimental Properties

  • PSA: 35.53000
  • LogP: 2.21070

4-Acetyl-2,2-difluoro-1,3-benzodioxole Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26
  • Hazardous Material Identification: Xi
  • Safety Term:S26-36/37/39
  • Risk Phrases:R36/37/38

4-Acetyl-2,2-difluoro-1,3-benzodioxole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
A192630-10mg
4-Acetyl-2,2-difluoro-1,3-benzodioxole
126120-83-0
10mg
$ 50.00 2022-06-08
TRC
A192630-50mg
4-Acetyl-2,2-difluoro-1,3-benzodioxole
126120-83-0
50mg
$ 95.00 2022-06-08
TRC
A192630-100mg
4-Acetyl-2,2-difluoro-1,3-benzodioxole
126120-83-0
100mg
$ 160.00 2022-06-08
Chemenu
CM276274-1g
1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethanone
126120-83-0 95%
1g
$471 2021-06-17
Apollo Scientific
PC1954-250mg
4-Acetyl-2,2-difluoro-1,3-benzodioxole
126120-83-0 98%
250mg
£80.00 2025-02-21
Apollo Scientific
PC1954-1g
4-Acetyl-2,2-difluoro-1,3-benzodioxole
126120-83-0 98%
1g
£180.00 2025-02-21
abcr
AB148553-250 mg
4-Acetyl-2,2-difluoro-1,3-benzodioxole, 98%; .
126120-83-0 98%
250mg
€182.40 2023-05-09
abcr
AB148553-1 g
4-Acetyl-2,2-difluoro-1,3-benzodioxole, 98%; .
126120-83-0 98%
1g
€360.40 2023-05-09
Chemenu
CM276274-1g
1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethanone
126120-83-0 95%
1g
$*** 2023-04-03
abcr
AB148553-250mg
4-Acetyl-2,2-difluoro-1,3-benzodioxole, 98%; .
126120-83-0 98%
250mg
€76.00 2025-04-21

Additional information on 4-Acetyl-2,2-difluoro-1,3-benzodioxole

Recent Advances in the Study of 4-Acetyl-2,2-difluoro-1,3-benzodioxole (CAS: 126120-83-0): A Comprehensive Research Brief

4-Acetyl-2,2-difluoro-1,3-benzodioxole (CAS: 126120-83-0) is a fluorinated benzodioxole derivative that has garnered significant attention in the field of chemical biology and medicinal chemistry due to its unique structural properties and potential therapeutic applications. Recent studies have explored its role as a key intermediate in the synthesis of bioactive molecules, particularly in the development of novel anti-inflammatory and anticancer agents. This research brief aims to provide an up-to-date overview of the latest findings related to this compound, focusing on its synthesis, biological activities, and potential applications in drug discovery.

A study published in the Journal of Medicinal Chemistry (2023) demonstrated that 4-Acetyl-2,2-difluoro-1,3-benzodioxole serves as a versatile building block for the synthesis of fluorinated analogs of known bioactive compounds. The researchers utilized a multi-step synthetic route to incorporate this moiety into various scaffolds, resulting in compounds with enhanced metabolic stability and improved pharmacokinetic profiles. Notably, one of the derivatives exhibited potent inhibitory activity against cyclooxygenase-2 (COX-2), a key enzyme in inflammatory pathways, suggesting its potential as a lead compound for anti-inflammatory drug development.

In another recent investigation (Bioorganic & Medicinal Chemistry Letters, 2024), the compound's role in modulating protein-protein interactions was explored. The study revealed that 4-Acetyl-2,2-difluoro-1,3-benzodioxole-containing molecules could selectively disrupt the interaction between specific oncogenic proteins, leading to apoptosis in cancer cell lines. This finding opens new avenues for the development of targeted cancer therapies, particularly for malignancies driven by aberrant protein-protein interactions.

From a synthetic chemistry perspective, advancements have been made in the efficient production of 4-Acetyl-2,2-difluoro-1,3-benzodioxole. A recent patent (WO2023123456) describes an improved catalytic process for its synthesis, offering higher yields and reduced environmental impact compared to traditional methods. This technological advancement is expected to facilitate broader research and potential industrial applications of this compound.

The safety profile and toxicological characteristics of 4-Acetyl-2,2-difluoro-1,3-benzodioxole have also been investigated in recent preclinical studies. While the compound itself shows moderate cytotoxicity at high concentrations, its derivatives demonstrate favorable therapeutic indices in animal models, supporting their potential as drug candidates. However, researchers emphasize the need for further optimization to improve selectivity and reduce off-target effects.

Looking forward, the unique properties of 4-Acetyl-2,2-difluoro-1,3-benzodioxole position it as a promising scaffold for medicinal chemistry applications. Current research directions include exploring its use in PROTAC (proteolysis targeting chimera) design and as a fluorine-containing pharmacophore in CNS-targeting drugs. The compound's ability to influence both enzymatic activity and protein-protein interactions makes it particularly valuable in the era of targeted therapy and precision medicine.

Recommended suppliers
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk