Cas no 71235-00-2 (4,4,4-Trimethoxybutanoic Acid Methyl Ester)
4,4,4-Trimethoxybutanoic Acid Methyl Ester Chemical and Physical Properties
Names and Identifiers
-
- methyl 4,4,4-trimethoxybutanoate
- 4,4,4-Trimethoxybutanoic Acid Methyl Ester
- OPRCDLSRPWDNOP-UHFFFAOYSA-N
- Butanoic acid, 4,4,4-trimethoxy-, methyl ester
- AKOS030255326
- 994-076-0
- 71235-00-2
- CS-0260321
- DB-128660
- EN300-7492471
- DTXCID50492077
- DTXSID90541290
- starbld0025373
- WCA23500
-
- Inchi: 1S/C8H16O5/c1-10-7(9)5-6-8(11-2,12-3)13-4/h5-6H2,1-4H3
- InChI Key: OPRCDLSRPWDNOP-UHFFFAOYSA-N
- SMILES: C(OC)(=O)CCC(OC)(OC)OC
Computed Properties
- Exact Mass: 192.09977361Da
- Monoisotopic Mass: 192.09977361Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 144
- 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: 0
- Topological Polar Surface Area: 54?2
4,4,4-Trimethoxybutanoic Acid Methyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T795525-500mg |
4,4,4-Trimethoxybutanoic Acid Methyl Ester |
71235-00-2 | 500mg |
$ 138.00 | 2023-09-05 | ||
| TRC | T795525-5g |
4,4,4-Trimethoxybutanoic Acid Methyl Ester |
71235-00-2 | 5g |
$ 799.00 | 2023-09-05 | ||
| AN HUI ZE SHENG Technology Co., Ltd. | T795525-500mg |
4,4,4-Trimethoxybutanoic Acid Methyl Ester |
71235-00-2 | 500mg |
¥1320.00 | 2023-09-15 | ||
| AN HUI ZE SHENG Technology Co., Ltd. | T795525-5g |
4,4,4-Trimethoxybutanoic Acid Methyl Ester |
71235-00-2 | 5g |
¥7920.00 | 2023-09-15 | ||
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | T86533-500mg |
4,4,4-Trimethoxybutanoic Acid Methyl Ester |
71235-00-2 | 500mg |
¥1540.00 | 2022-12-03 | ||
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | T86533-5g |
4,4,4-Trimethoxybutanoic Acid Methyl Ester |
71235-00-2 | 5g |
¥9170.00 | 2022-12-03 | ||
| Enamine | EN300-7492471-0.05g |
methyl 4,4,4-trimethoxybutanoate |
71235-00-2 | 95% | 0.05g |
$212.0 | 2024-05-23 | |
| Enamine | EN300-7492471-0.1g |
methyl 4,4,4-trimethoxybutanoate |
71235-00-2 | 95% | 0.1g |
$317.0 | 2024-05-23 | |
| Enamine | EN300-7492471-0.25g |
methyl 4,4,4-trimethoxybutanoate |
71235-00-2 | 95% | 0.25g |
$452.0 | 2024-05-23 | |
| Enamine | EN300-7492471-0.5g |
methyl 4,4,4-trimethoxybutanoate |
71235-00-2 | 95% | 0.5g |
$713.0 | 2024-05-23 |
4,4,4-Trimethoxybutanoic Acid Methyl Ester Related Literature
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
Additional information on 4,4,4-Trimethoxybutanoic Acid Methyl Ester
Comprehensive Overview of 4,4,4-Trimethoxybutanoic Acid Methyl Ester (CAS No. 71235-00-2): Properties, Applications, and Industry Insights
4,4,4-Trimethoxybutanoic Acid Methyl Ester (CAS No. 71235-00-2) is a specialized organic compound gaining attention in pharmaceutical and fine chemical industries due to its unique structural properties and versatile reactivity. This ester derivative, characterized by three methoxy groups and a methyl ester functionality, serves as a key intermediate in synthetic chemistry. Its molecular formula, C8H16O5, and trimethoxybutanoate backbone make it valuable for designing complex molecules, particularly in drug discovery and flavor/fragrance formulations.
Recent trends in green chemistry have spurred interest in 4,4,4-Trimethoxybutanoic Acid Methyl Ester as a potential bio-based building block. Researchers are exploring its role in sustainable synthesis routes, aligning with global demands for eco-friendly chemical processes. The compound’s ability to participate in multicomponent reactions (MCRs) and its compatibility with catalytic hydrogenation techniques further enhance its industrial relevance. Questions like "How is 4,4,4-Trimethoxybutanoic Acid Methyl Ester used in asymmetric synthesis?" or "What are the solvent effects on its reactivity?" frequently appear in academic forums, reflecting growing curiosity.
From a technical perspective, 71235-00-2 exhibits moderate polarity due to its ester and ether functionalities, making it soluble in common organic solvents such as methanol, ethyl acetate, and dichloromethane. Its stability under inert atmospheres and sensitivity to acidic hydrolysis are critical considerations for storage and handling. Analytical methods like GC-MS and NMR spectroscopy are typically employed for purity verification, addressing common queries such as "How to characterize 4,4,4-Trimethoxybutanoic Acid Methyl Ester?" or "What spectroscopic peaks confirm its structure?".
In pharmaceutical applications, this compound’s methoxy-rich structure enables selective modifications for prodrug development. Its role in synthesizing chiral auxiliaries and protecting groups is documented in peer-reviewed journals, often cited for stereoselective synthesis protocols. The rise of AI-driven molecular design has also spotlighted CAS No. 71235-00-2 as a dataset candidate for machine learning models predicting ester reactivity.
Market analyses indicate increasing procurement of 4,4,4-Trimethoxybutanoic Acid Methyl Ester by contract research organizations (CROs) and custom synthesis providers. Regulatory compliance, such as REACH and FDA guidelines for intermediates, is a recurring topic among buyers. FAQs like "Is CAS 71235-00-2 compliant with ICH Q3C?" or "What are the thermal stability thresholds?" underscore the need for transparent technical documentation.
Future prospects for this compound include potential applications in biodegradable polymers and non-toxic plasticizers, areas where methoxy esters show promise. Collaborative studies between academia and industry continue to explore novel derivatives, ensuring 4,4,4-Trimethoxybutanoic Acid Methyl Ester remains a compound of strategic interest in advanced material science and medicinal chemistry.
71235-00-2 (4,4,4-Trimethoxybutanoic Acid Methyl Ester) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)