Cas no 16837-14-2 (2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid)
2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid Chemical and Physical Properties
Names and Identifiers
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- 1,3-Dioxane-5-carboxylicacid, 2,2,5-trimethyl-
- 2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid
- 2,2,5-Trimethyl-1,3-
- 2,2,5,5-TETRAMETHYL-3-PYRROLINE-3-CARBOXAMIDE
- 2,2,5-Trimethyl-m-dioxane-5-carboxylic Acid
- 2,2,5-Trimethyl-m-dioxane-5-carboxylic Aci
- 2,2,5-trimethyl-1,3-dioxane-5-caboxylic acid
- 1,3-Dioxane-5-carboxylicacid,2,2,5-trimethyl-
- WZEWDEAIHCUMKY-UHFFFAOYSA-N
- NE59614
- 2,2,5-trimethyl-1,3-dioxane5-carboxylic acid
- 2,2,5-trimethyl-(1,3)dioxane-5-carboxylic acid
- 837T142
- (2,2,5-trimethyl-1,3-dioxan-5-yl)carboxylic acid
- Z155202712
- J-010451
- SCHEMBL42141
- AKOS006286024
- EN300-120500
- AS-66988
- DTXSID80463290
- 16837-14-2
- D95410
- CS-0447799
- FT-0675619
- 2,2,5-trimethyl-1,3-dioxane-5-carboxylicAcid
- T3839
- MFCD08272187
- DTXCID60414109
-
- MDL： MFCD08272187
- Inchi： 1S/C8H14O4/c1-7(2)11-4-8(3,5-12-7)6(9)10/h4-5H2,1-3H3,(H,9,10)
- InChI Key： WZEWDEAIHCUMKY-UHFFFAOYSA-N
- SMILES： O1C(C)(C)OCC(C(=O)O)(C)C1
Computed Properties
- Exact Mass: 174.08900
- Monoisotopic Mass: 174.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 187
- 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: 55.8
- XLogP3: 0.3
Experimental Properties
- Color/Form: No data available
- Density: 1.105
- Melting Point: 119.0 to 123.0 deg-C
- Boiling Point: 264.9±35.0 °C at 760 mmHg
- Flash Point: 102.6±19.4 °C
- Refractive Index: 1.441
- PSA: 55.76000
- LogP: 0.86020
2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid Security Information
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Symbol:
- Prompt：warning
- Signal Word：warning
- Hazard Statement： H315-H319
- Warning Statement： P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：Store at 4°C,-4At ℃Store…Better
2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | T3839-5G |
2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid |
16837-14-2 | 95.0%(T) | 5G |
￥490.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | T3839-25G |
2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid |
16837-14-2 | 95.0%(T) | 25G |
￥1490.0 | 2022-09-28 | |
| Chemenu | CM181811-5g |
2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid |
16837-14-2 | 95% | 5g |
$843 | 2021-08-05 | |
| Chemenu | CM181811-10g |
2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid |
16837-14-2 | 95% | 10g |
$1403 | 2021-08-05 | |
| Alichem | A449039082-5g |
2,2,5-Trimethyl-1,3-dioxane-5-carboxylic acid |
16837-14-2 | 95% | 5g |
983.18 USD | 2021-06-15 | |
| Alichem | A449039082-10g |
2,2,5-Trimethyl-1,3-dioxane-5-carboxylic acid |
16837-14-2 | 95% | 10g |
1,590.00 USD | 2021-06-15 | |
| TRC | T795990-100mg |
2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid |
16837-14-2 | 100mg |
$69.00 | 2023-05-17 | ||
| TRC | T795990-250mg |
2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid |
16837-14-2 | 250mg |
$ 98.00 | 2023-09-05 | ||
| TRC | T795990-500mg |
2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid |
16837-14-2 | 500mg |
$115.00 | 2023-05-17 | ||
| TRC | T795990-1g |
2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid |
16837-14-2 | 1g |
$ 161.00 | 2023-09-05 |
2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid Suppliers
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2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
Additional information on 2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid
Comprehensive Overview of 2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid (CAS No. 16837-14-2)
2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid (CAS No. 16837-14-2) is a specialized organic compound with a unique dioxane ring structure. This carboxylic acid derivative has garnered significant attention in pharmaceutical and agrochemical research due to its versatile applications. The compound's molecular formula is C8H14O4, and it features a trimethyl-substituted dioxane backbone, which contributes to its stability and reactivity in synthetic pathways.
In recent years, the demand for high-purity 2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid has surged, particularly in the development of biodegradable polymers and green chemistry applications. Researchers are exploring its potential as a building block for sustainable materials, aligning with global trends toward eco-friendly alternatives. The compound's low toxicity profile and compatibility with enzymatic reactions make it a promising candidate for biocatalysis and drug intermediate synthesis.
The synthesis of 2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid typically involves the condensation of ketones with glycolic acid derivatives, followed by selective oxidation. Advanced purification techniques, such as crystallization and chromatography, ensure the compound meets the stringent requirements of pharmaceutical-grade applications. Its melting point (≈85–90°C) and solubility in polar solvents like ethanol and acetone are critical parameters for industrial use.
One of the most searched questions about this compound is: "What are the applications of 2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid in drug discovery?" Studies highlight its role as a chiral auxiliary in asymmetric synthesis, enabling the production of enantiomerically pure compounds. Additionally, its metabolic stability makes it valuable for designing prodrugs and controlled-release formulations.
From an SEO perspective, keywords like "buy 2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid" and "CAS 16837-14-2 supplier" are frequently queried, reflecting commercial interest. Manufacturers emphasize batch-to-batch consistency and regulatory compliance (e.g., REACH, GMP) to meet the needs of fine chemical buyers. The compound's patent landscape also reveals innovations in catalytic hydrogenation methods to improve yield.
Environmental considerations are another hot topic. 2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid is being evaluated for its biodegradability and aquatic toxicity under OECD guidelines. Its potential as a renewable feedstock aligns with the circular economy paradigm, addressing concerns about chemical waste management.
In analytical chemistry, techniques like HPLC and NMR spectroscopy are essential for characterizing 16837-14-2. The compound's spectral data (e.g., IR peaks at 1720 cm-1 for carbonyl) are well-documented, aiding in quality control. Recent publications also discuss its computational modeling to predict reactivity in multi-step syntheses.
Future research directions include optimizing scalable production and exploring derivatives with enhanced properties. As industries prioritize cost-effective and sustainable chemicals, 2,2,5-Trimethyl-1,3-dioxane-5-carboxylic Acid is poised to play a pivotal role in next-generation material science and life sciences.
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