- Cholinergic agents: effect of methyl substitution in a series of arecoline derivatives on binding to muscarinic acetylcholine receptorsMoos, Walter H.; Bergmeier, Stephen C.; Coughenour, Linda L.; Davis, Robert E.; Hershenson, Fred M.; et al, Journal of Pharmaceutical Sciences, 1992, 81(10), 1015-19
Cas no 94015-05-1 (4-methylpyridine-3-carboxylic acid hydrochloride)
4-methylpyridine-3-carboxylic acid hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 4-Methylnicotinic acid hydrochloride
- 4-methylpyridine-3-carboxylic acid, hydrochloride
- 4-METHYLNICOTINIC ACID HCL
- 4-methylpyridine-3-carboxylic Acid Hydrochloride
- 4-Methyl-nicotinic acid hydrochloride
- QNKFCIXWPNMUAH-UHFFFAOYSA-N
- 4-methyl nicotinic acid hydrochloride
- OR0651
- SBB028489
- 4-methylnicotinic acid hydrochloride;
- EBD1104120
- AM81221
- 4-methylnicotinic acid monohydrochloride
- 3-Pyridinecarboxylic acid, 4-methyl-, hydrochloride (9CI)
- 4-Methyl-3-pyridinecarboxylic acid hydrochloride
- 4-Methylnicotinic acid hydrochloride salt
- DB-057460
- 4-methylpyridine-3-carboxylic acid;hydrochloride
- SCHEMBL1536025
- DS-1807
- TS-02389
- SY109357
- 4-MethylnicotinicacidHydrochloride
- 4-methylnicotinic acid hydrochloride, AldrichCPR
- MFCD00832700
- DTXSID90383834
- CS-0007726
- AKOS015844280
- 94015-05-1
- 4-methylpyridine-3-carboxylic acid hydrochloride
-
- MDL: MFCD00832700
- Inchi: 1S/C7H7NO2.ClH/c1-5-2-3-8-4-6(5)7(9)10;/h2-4H,1H3,(H,9,10);1H
- InChI Key: QNKFCIXWPNMUAH-UHFFFAOYSA-N
- SMILES: Cl.O=C(C1C(C)=CC=NC=1)O
Computed Properties
- Exact Mass: 173.02400
- Monoisotopic Mass: 173.0243562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 136
- 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
- Topological Polar Surface Area: 50.2
- Surface Charge: -1
- XLogP3: 1.4
Experimental Properties
- Color/Form: Light brown powder
- Density: 1.23
- Melting Point: 140-141 oC
- Boiling Point: No data available
- Flash Point: No data available
- PSA: 50.19000
- LogP: 1.89020
- Sensitiveness: Hygroscopic
- Solubility: Not determined
- Vapor Pressure: No data available
4-methylpyridine-3-carboxylic acid hydrochloride Security Information
- Signal Word:warning
- Hazard Statement: Irritant
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazard Category Code: 36/37/38
- Safety Instruction: S26; S36/37/39
-
Hazardous Material Identification:
- Risk Phrases:R36/37/38
- Storage Condition:Room temperature storage
4-methylpyridine-3-carboxylic acid hydrochloride Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4-methylpyridine-3-carboxylic acid hydrochloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GC434-5g |
4-methylpyridine-3-carboxylic acid hydrochloride |
94015-05-1 | 95+% | 5g |
1216.0CNY | 2021-08-03 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GC434-1g |
4-methylpyridine-3-carboxylic acid hydrochloride |
94015-05-1 | 95+% | 1g |
339.0CNY | 2021-08-03 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GC434-250mg |
4-methylpyridine-3-carboxylic acid hydrochloride |
94015-05-1 | 95+% | 250mg |
163CNY | 2021-05-08 | |
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | ARK-0951-25g |
4-METHYLNICOTINIC ACID HCL |
94015-05-1 | 95% | 25g |
$320 | 2023-09-07 | |
| Matrix Scientific | 082284-1g |
4-Methylnicotinic acid hydrochloride, 97% |
94015-05-1 | 97% | 1g |
$130.00 | 2023-09-09 | |
| Matrix Scientific | 082284-10g |
4-Methylnicotinic acid hydrochloride, 97% |
94015-05-1 | 97% | 10g |
$924.00 | 2023-09-09 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M828149-5g |
4-Methylnicotinic acid hydrochloride |
94015-05-1 | 95% | 5g |
¥537.60 | 2022-09-01 | |
| Chemenu | CM178070-25g |
4-Methylnicotinic acid hydrochloride |
94015-05-1 | 95% | 25g |
$433 | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GC434-200mg |
4-methylpyridine-3-carboxylic acid hydrochloride |
94015-05-1 | 95+% | 200mg |
108.0CNY | 2021-08-04 | |
| TRC | M219395-10mg |
4-Methylnicotinic Acid Hydrochloride |
94015-05-1 | 10mg |
$ 50.00 | 2022-06-04 |
4-methylpyridine-3-carboxylic acid hydrochloride Production Method
Production Method 1
Production Method 2
- Preparation of some thiopyranopyridine derivativesClarke, Kenneth; Goulding, John; Scrowston, Richard M., Journal of the Chemical Society, 1984, (7), 1501-5
4-methylpyridine-3-carboxylic acid hydrochloride Preparation Products
4-methylpyridine-3-carboxylic acid hydrochloride Suppliers
4-methylpyridine-3-carboxylic acid hydrochloride Related Literature
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Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Pyridinecarboxylic acids
- Catalysts and Inorganic Chemicals Inorganic Compounds Salt
Additional information on 4-methylpyridine-3-carboxylic acid hydrochloride
4-Methylpyridine-3-carboxylic acid hydrochloride (CAS No. 94015-05-1): A Versatile Intermediate in Modern Chemical Biology and Medicinal Chemistry
4-Methylpyridine-3-carboxylic acid hydrochloride, with the chemical formula C7H9NCOOH·HCl, is a significant compound in the realm of chemical biology and medicinal chemistry. Its unique structural features, including a methyl-substituted pyridine ring and a carboxylic acid moiety, make it a valuable intermediate in the synthesis of various pharmacologically active molecules. This compound, identified by its CAS number 94015-05-1, has garnered attention due to its role in the development of novel therapeutic agents and its applications in academic research.
The< strong>4-methylpyridine-3-carboxylic acid hydrochloride structure is characterized by a pyridine core, which is a common scaffold in many bioactive compounds. The presence of a methyl group at the 4-position and a carboxylic acid group at the 3-position introduces specific electronic and steric properties that can influence its reactivity and biological activity. This compound serves as a crucial building block in organic synthesis, enabling the construction of more complex molecules with tailored functionalities.
In recent years, the< strong>4-methylpyridine-3-carboxylic acid hydrochloride has been extensively studied for its potential applications in drug discovery. Its derivatives have been explored as intermediates in the synthesis of small-molecule inhibitors targeting various biological pathways. For instance, modifications of this scaffold have led to the development of compounds with anti-inflammatory, anticancer, and antimicrobial properties. The versatility of this compound lies in its ability to undergo diverse chemical transformations, such as esterification, amidation, and alkylation, which are essential for generating structurally diverse libraries of compounds.
The< strong>CAS No. 94015-05-1 designation ensures that researchers can reliably identify and source this compound for their studies. Its availability from reputable chemical suppliers has facilitated numerous synthetic endeavors in academic and industrial settings. The compound's stability under standard storage conditions makes it a practical choice for long-term projects and large-scale preparations.
One of the most compelling aspects of< strong>4-methylpyridine-3-carboxylic acid hydrochloride is its role in the development of novel therapeutic agents. Recent studies have highlighted its utility in the synthesis of kinase inhibitors, which are critical for treating cancers and inflammatory diseases. The pyridine ring's ability to interact with biological targets such as enzymes and receptors makes it an ideal platform for drug design. Additionally, the carboxylic acid group can be further functionalized to enhance binding affinity and selectivity.
The< strong>4-methylpyridine-3-carboxylic acid hydrochloride scaffold has also been employed in the creation of peptidomimetics, which are designed to mimic the bioactivity of natural peptides without their drawbacks. These peptidomimetics have shown promise in targeting specific proteins involved in disease pathways. The structural flexibility offered by this compound allows chemists to fine-tune molecular properties such as solubility, metabolic stability, and pharmacokinetic profiles.
In addition to its pharmaceutical applications, CAS No. 94015-05-1-labeled< strong>4-methylpyridine-3-carboxylic acid hydrochloride has found utility in agrochemical research. Derivatives of this compound have been investigated as potential herbicides and pesticides due to their ability to interfere with essential biological processes in plants and pests. The unique combination of functional groups in this molecule allows for selective action against target organisms while minimizing environmental impact.
The synthesis of< strong>4-methylpyridine-3-carboxylic acid hydrochloride typically involves multi-step organic reactions starting from readily available precursors such as methyl pyridines or substituted pyridines. Advanced synthetic methodologies, including catalytic hydrogenation and palladium-catalyzed cross-coupling reactions, have been employed to achieve high yields and purity levels. These synthetic strategies underscore the compound's importance as a synthetic intermediate in modern chemistry.
The< strong>CAS No. 94015-05-1 registration provides a standardized identifier that ensures consistency across scientific literature and commercial products. This standardized nomenclature facilitates accurate database searches and literature reviews, enabling researchers to stay abreast of the latest developments involving this compound. The availability of detailed spectroscopic data, such as NMR spectra and mass spectrometry profiles, further aids in confirming the identity and purity of< strong>4-methylpyridine-3-carboxylic acid hydrochloride.
In conclusion, 4-Methylpyridine-3-carboxylic acid hydrochloride (CAS No. 94015-05-1) is a multifaceted compound with broad applications in chemical biology and medicinal chemistry. Its unique structural features make it an invaluable intermediate for synthesizing pharmacologically active molecules targeting various diseases. The ongoing research into derivatives of this compound continues to expand its utility across multiple domains, reinforcing its significance as a cornerstone in modern chemical synthesis.
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