Cas no 52629-46-6 (2-Mesitylacetyl chloride)
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
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: 22-24/25
-
Hazardous Material Identification:
- Storage Condition:Store at room temperature
- Risk Phrases:36/37/38
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 |
2-Mesitylacetyl chloride Related Literature
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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.
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