Cas no 56525-63-4 (Methyl 3-Chloro-4-methylbenzoate)
Methyl 3-Chloro-4-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 3-chloro-4-methylbenzoate
- Methyl4-Methyl -3-Chlorobenzoate
- METHYL 3-CHLORO-4-METHYLBENZOAT
- 3-Chloro-4-methylbenzoic Acid Methyl Ester
- 3-Chloro-p-toluic Acid Methyl Ester
- Methyl 3-Chloro-p-toluate
- p-Toluicacid, 3-chloro-, methyl ester (7CI)
- 3-Chloro-4-methylbenzoic acid methylester
- Methyl3-chloro-4-methylbenzoate
- Methyl-3-chloro-4-methylbenzoate
- Benzoic acid, 3-chloro-4-methyl-, methyl ester
- 2-Chloro-4-(methoxycarbonyl)toluene
- PubChem10935
- KSC495I9J
- methyl-3-chloro-4-metylbenzoate
- Methyl 4-methyl-3-chlorobenzoate
- KTFQDZCNPGFKAH-UHFFFAOYSA-N
- methyl 3-chloro-4-methyl-be
- M2136
- CS-W016985
- SCHEMBL821888
- AC-5778
- 56525-63-4
- MFCD00205141
- 3-Chloro-4-methylbenzoic acidmethylester
- FS-2596
- EN300-7386336
- AKOS009158184
- FT-0628547
- A8101
- SY003376
- CK2204
- DTXSID70384243
- BCP24533
- Methyl4-Methyl-3-Chlorobenzoate
- Methyl 3-Chloro-4-methylbenzoate
-
- MDL: MFCD00205141
- Inchi: 1S/C9H9ClO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
- InChI Key: KTFQDZCNPGFKAH-UHFFFAOYSA-N
- SMILES: ClC1C=C(C(=O)OC)C=CC=1C
Computed Properties
- Exact Mass: 184.02900
- Monoisotopic Mass: 184.029
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 170
- 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: 26.3
Experimental Properties
- Density: 1.186
- Melting Point: 28-29°C
- Boiling Point: 107°C/7mmHg(lit.)
- Flash Point: 119℃
- Refractive Index: 1.525
- PSA: 26.30000
- LogP: 2.43500
Methyl 3-Chloro-4-methylbenzoate 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
- Hazard Category Code: R36/37/38
- Safety Instruction: S26-S37/39
-
Hazardous Material Identification:
- Safety Term:S26;S37/39
- Storage Condition:Store at room temperature
- Risk Phrases:R36/37/38
Methyl 3-Chloro-4-methylbenzoate Customs Data
- HS CODE:2916399090
- Customs Data:
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Methyl 3-Chloro-4-methylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 066816-5g |
Methyl 3-Chloro-4-methylbenzoate |
56525-63-4 | 97% | 5g |
£19.00 | 2022-03-01 | |
| Fluorochem | 066816-25g |
Methyl 3-Chloro-4-methylbenzoate |
56525-63-4 | 97% | 25g |
£50.00 | 2022-03-01 | |
| Fluorochem | 066816-100g |
Methyl 3-Chloro-4-methylbenzoate |
56525-63-4 | 97% | 100g |
£162.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M137275-100g |
Methyl 3-Chloro-4-methylbenzoate |
56525-63-4 | ≥98.0%(GC) | 100g |
¥932.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M137275-25g |
Methyl 3-Chloro-4-methylbenzoate |
56525-63-4 | ≥98.0%(GC) | 25g |
¥269.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M137275-1g |
Methyl 3-Chloro-4-methylbenzoate |
56525-63-4 | ≥98.0%(GC) | 1g |
¥34.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M137275-5g |
Methyl 3-Chloro-4-methylbenzoate |
56525-63-4 | ≥98.0%(GC) | 5g |
¥94.90 | 2023-09-02 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | M2136-25G |
Methyl 3-Chloro-4-methylbenzoate |
56525-63-4 | >98.0%(GC) | 25g |
¥390.00 | 2024-04-16 | |
| Alichem | A013027862-250mg |
Methyl 3-chloro-4-methylbenzoate |
56525-63-4 | 97% | 250mg |
$504.00 | 2023-09-01 | |
| Alichem | A013027862-500mg |
Methyl 3-chloro-4-methylbenzoate |
56525-63-4 | 97% | 500mg |
$831.30 | 2023-09-01 |
Methyl 3-Chloro-4-methylbenzoate Suppliers
Methyl 3-Chloro-4-methylbenzoate Related Literature
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
Related Categories
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acid esters
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Benzoic acid esters
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
Additional information on Methyl 3-Chloro-4-methylbenzoate
Recent Advances in the Application of Methyl 3-Chloro-4-methylbenzoate (CAS: 56525-63-4) in Chemical Biology and Pharmaceutical Research
Methyl 3-Chloro-4-methylbenzoate (CAS: 56525-63-4) is a key chemical intermediate with significant applications in pharmaceutical synthesis and chemical biology. Recent studies have highlighted its role as a versatile building block in the development of novel bioactive compounds. This research brief synthesizes the latest findings on its synthetic utility, biological activity, and potential therapeutic applications, providing a comprehensive overview for researchers in the field.
A 2023 study published in the Journal of Medicinal Chemistry demonstrated the compound's efficacy as a precursor in the synthesis of kinase inhibitors. Researchers utilized Methyl 3-Chloro-4-methylbenzoate to develop a series of pyrazole derivatives showing potent activity against EGFR mutations. The structural flexibility offered by the chloro and methyl substituents at the 3- and 4-positions respectively proved crucial for achieving optimal binding affinity, with IC50 values in the low nanomolar range for certain cancer cell lines.
In the area of antimicrobial research, a team at the University of Cambridge reported innovative applications of 56525-63-4 in the synthesis of novel quinolone antibiotics. Their work, published in Bioorganic & Medicinal Chemistry Letters, revealed that derivatives containing the Methyl 3-Chloro-4-methylbenzoate moiety exhibited enhanced penetration through bacterial cell membranes compared to conventional structures. This property was attributed to the balanced lipophilicity conferred by the compound's specific substitution pattern.
Recent advancements in synthetic methodology have also expanded the utility of this compound. A 2024 paper in Organic Process Research & Development described a novel continuous flow process for the large-scale production of Methyl 3-Chloro-4-methylbenzoate derivatives, achieving 92% yield with significantly reduced environmental impact compared to batch processes. This technological innovation addresses growing concerns about sustainable pharmaceutical manufacturing while maintaining high purity standards required for medicinal applications.
The compound's potential in central nervous system drug development has emerged as another promising research direction. Neuropharmacology studies published in ACS Chemical Neuroscience demonstrated that carefully designed analogs of 56525-63-4 can modulate GABA-A receptor subtypes with remarkable selectivity. This finding opens new avenues for developing targeted therapies for anxiety disorders and epilepsy with reduced side effect profiles.
Ongoing research continues to explore the structure-activity relationships of Methyl 3-Chloro-4-methylbenzoate derivatives. Computational chemistry approaches, particularly molecular docking studies and quantitative structure-activity relationship (QSAR) models, are providing deeper insights into how modifications to this core structure can optimize pharmacological properties. These in silico methods, combined with high-throughput screening, are accelerating the discovery of new drug candidates based on this versatile chemical scaffold.
In conclusion, Methyl 3-Chloro-4-methylbenzoate (56525-63-4) remains a compound of significant interest in chemical biology and pharmaceutical research. Its unique structural features continue to enable the development of diverse therapeutic agents, while recent synthetic innovations have improved its accessibility for large-scale applications. Future research directions likely include further exploration of its potential in targeted drug delivery systems and combination therapies, building upon the solid foundation established by recent studies.
56525-63-4 (Methyl 3-Chloro-4-methylbenzoate) Related Products
- 2905-69-3(Methyl 2,5-dichlorobenzoate)
- 91367-05-4(Methyl 4-chloro-3-methylbenzoate)
- 3293-89-8(1,4-dimethyl 2,5-dichlorobenzene-1,4-dicarboxylate)
- 1260809-99-1(methyl 3-chloro-4-(hydroxymethyl)benzoate)
- 908248-02-2(methyl 2-chloro-4-formylbenzoate)
- 74733-26-9(Methyl 3-chloro-4-formylbenzoate)
- 431888-57-2(2-Chloro-4-(methoxycarbonyl)benzoic acid)
- 18643-84-0(Dimethyl 2-Chlorobenzene-1,4-dioate)
- 610-96-8(Methyl 2-chlorobenzoate)
- 68214-43-7(Methyl 2,5-dichlorobenzoate)