Cas no 52629-46-6 (2-Mesitylacetyl chloride)

2-Mesitylacetyl chloride is a specialized acyl chloride derivative characterized by the presence of a mesityl (2,4,6-trimethylphenyl) group attached to an acetyl chloride moiety. This compound is primarily utilized in organic synthesis as a reactive intermediate for introducing the mesitylacetyl functional group into target molecules. Its sterically hindered structure enhances selectivity in acylation reactions, making it valuable for the preparation of complex organic frameworks. The compound is typically employed under anhydrous conditions due to its sensitivity to moisture. Key applications include the synthesis of pharmaceuticals, agrochemicals, and advanced materials, where precise functionalization is required. Proper handling and storage are essential to maintain its reactivity and stability.
2-Mesitylacetyl chloride structure
2-Mesitylacetyl chloride structure
Product Name:2-Mesitylacetyl chloride
CAS No:52629-46-6
MF:C11H13ClO
MW:196.673322439194
CID:56283
PubChem ID:11030754
Update Time:2025-05-24

2-Mesitylacetyl chloride Chemical and Physical Properties

Names and Identifiers

    • 2-Mesitylacetyl chloride
    • Mesitylacetic acid
    • Mesityleneacetic acid
    • Mesity aceti acid
    • VITAS-BB TBB000369
    • RARECHEM AL BO 0305
    • BENZENEACETIC ACID, 2,4,6-TRIMETHYL-
    • 2,4,6-TRIMETHYLBENZENEACETIC ACID
    • 2,4,6-TRIMETHYLPHENYLACETIC ACID
    • 2,4,6-TMPAC
    • 2,4,6-trimethylBenzeneacetyl chloride
    • (2,4,6-Trimethyl-phenyl)-acetaldehyde
    • (2,4,6-trimethyl-phenyl)-acetyl chloride
    • (2,4,6-Trimethylphenyl)acetylchlorid
    • 2,4,6-trimethylphenylacetaldehyde
    • 2,4,6-trimethylphenylacetic acid chloride
    • 2,4,6-trimethylphenylacety
    • 2.4.6-Trimethyl-phenylacetaldehyd
    • 2-MESITYLACETALDEHYDE
    • AC1L6W7F
    • CTK8J4460
    • Mesityl-acetaldehyd
    • mesitylacetaldehyde
    • mesityl-acetaldehyde
    • mesitylacetyl chloride
    • NSC174748
    • E70361
    • 2-Mesitylacetylchloride
    • SCHEMBL37165
    • 2,4,6-Trimethyl phenyl acetic chloride
    • (2,4,6-trimethylphenyl)-acetyl chloride
    • NXCYVLQDRHQRHC-UHFFFAOYSA-N
    • MFCD16879087
    • 2,4,6-TRIMETHYLPHENYLACETYL CHLORIDE
    • FT-0652789
    • mesitylene acetyl chloride
    • A829178
    • NS00077842
    • MESITYLACETICACID
    • 2-(2,4,6-trimethylphenyl)acetyl Chloride
    • mesityleneacetyl chloride
    • DTXSID201285261
    • 52629-46-6
    • 2,4,6-Trimethylphenylacetic chloride
    • Benzeneacetyl chloride, 2,4,6-trimethyl-
    • DB-071560
    • MDL: MFCD00014368
    • Inchi: 1S/C11H13ClO/c1-7-4-8(2)10(6-11(12)13)9(3)5-7/h4-5H,6H2,1-3H3
    • InChI Key: NXCYVLQDRHQRHC-UHFFFAOYSA-N
    • SMILES: ClC(CC1C(C)=CC(C)=CC=1C)=O

Computed Properties

  • Exact Mass: 196.06559
  • Monoisotopic Mass: 196.0654927g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 179
  • 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: 3.5
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.095
  • Melting Point: 167-168 oC
  • PSA: 17.07

2-Mesitylacetyl chloride Security Information

2-Mesitylacetyl chloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M225665-250mg
2-Mesitylacetyl Chloride
52629-46-6
250mg
$ 50.00 2022-06-04
TRC
M225665-500mg
2-Mesitylacetyl Chloride
52629-46-6
500mg
$ 65.00 2022-06-04
TRC
M225665-2.5g
2-Mesitylacetyl Chloride
52629-46-6
2.5g
$ 80.00 2022-06-04
Alichem
A015037706-500g
2-Mesitylacetyl chloride
52629-46-6 98%
500g
$858.06 2023-09-01
A2B Chem LLC
AI51814-1g
Mesitylacetyl chloride
52629-46-6
1g
$639.00 2024-04-19
abcr
AB589558-5g
2,4,6-Trimethylphenylacetic chloride; .
52629-46-6
5g
€61.50 2024-07-20
abcr
AB589558-25g
2,4,6-Trimethylphenylacetic chloride; .
52629-46-6
25g
€62.60 2025-04-18
abcr
AB589558-100g
2,4,6-Trimethylphenylacetic chloride; .
52629-46-6
100g
€93.60 2025-04-18
Aaron
AR00IA42-250mg
Benzeneacetyl chloride, 2,4,6-trimethyl-
52629-46-6 95%
250mg
$500.00 2025-02-11
Aaron
AR00IA42-1g
Benzeneacetyl chloride, 2,4,6-trimethyl-
52629-46-6 95%
1g
$800.00 2025-02-11

Additional information on 2-Mesitylacetyl chloride

Introduction to 2-Mesitylacetyl Chloride (CAS No. 52629-46-6)

2-Mesitylacetyl chloride, with the chemical formula C12H13ClO, is a significant intermediate in organic synthesis and pharmaceutical research. This compound, identified by its CAS number 52629-46-6, has garnered attention due to its versatile applications in the development of novel molecules. Its unique structural features, including a mesityl group and an acetyl chloride moiety, make it a valuable building block for synthetic chemists.

The mesityl group, characterized by its three isopropyl substituents attached to a central carbon atom, imparts enhanced stability and reactivity to the molecule. This stability is particularly useful in multi-step synthetic pathways where intermediates must withstand harsh reaction conditions. The acetyl chloride functionality, on the other hand, provides a reactive site for further derivatization, enabling the formation of esters, amides, and other functional groups essential in drug design.

In recent years, 2-mesitylacetyl chloride has been extensively studied for its potential in medicinal chemistry. One of the most compelling applications is its use as a precursor in the synthesis of bioactive molecules. Researchers have leveraged its reactivity to develop new therapeutic agents targeting various diseases. For instance, studies have shown that derivatives of this compound exhibit promising anti-inflammatory properties by modulating key signaling pathways involved in immune responses.

The pharmaceutical industry has been particularly interested in 2-mesitylacetyl chloride due to its role in generating novel heterocyclic compounds. Heterocycles are the backbone of many drugs and play a crucial role in their biological activity. By incorporating the mesityl and acetyl chloride groups into heterocyclic frameworks, scientists have been able to create molecules with enhanced binding affinity and selectivity. This approach has led to the discovery of several lead compounds that are currently undergoing further optimization for clinical use.

Moreover, the compound's utility extends beyond pharmaceuticals into agrochemicals and material science. In agrochemical research, 2-mesitylacetyl chloride serves as a key intermediate in synthesizing novel pesticides and herbicides. These derivatives often exhibit improved efficacy against pests while maintaining environmental safety profiles. Similarly, in material science, the compound's reactivity allows for the development of advanced polymers with tailored properties for industrial applications.

The synthesis of 2-mesitylacetyl chloride typically involves chlorination reactions starting from mesityl ketone or related precursors. These reactions are optimized for high yield and purity, ensuring that researchers have access to high-quality starting materials for their investigations. Advances in catalytic methods have further refined these processes, making them more efficient and sustainable.

Recent breakthroughs in computational chemistry have also enhanced our understanding of 2-mesitylacetyl chloride's reactivity. Molecular modeling studies have provided insights into how this compound interacts with biological targets at the molecular level. This knowledge is crucial for designing more effective drugs by predicting how modifications to the molecule will affect its biological activity.

In conclusion, 2-mesitylacetyl chloride (CAS No. 52629-46-6) is a multifaceted compound with broad applications across multiple scientific disciplines. Its unique structural features make it an indispensable tool for synthetic chemists working on pharmaceuticals, agrochemicals, and advanced materials. As research continues to uncover new ways to utilize this compound, its importance is only expected to grow.

Recommended suppliers
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.