Cas no 1211507-34-4 (3-isocyanato-1,1-dimethoxypropane)
3-isocyanato-1,1-dimethoxypropane Chemical and Physical Properties
Names and Identifiers
-
- 3-isocyanato-1,1-dimethoxypropane
- DTXSID901299384
- AKOS006371012
- 1211507-34-4
- EN300-1737947
-
- Inchi: 1S/C6H11NO3/c1-9-6(10-2)3-4-7-5-8/h6H,3-4H2,1-2H3
- InChI Key: YWIVKPPTFNUTAG-UHFFFAOYSA-N
- SMILES: O(C)C(CCN=C=O)OC
Computed Properties
- Exact Mass: 145.07389321g/mol
- Monoisotopic Mass: 145.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 116
- 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: 1.2
- Topological Polar Surface Area: 47.9?2
3-isocyanato-1,1-dimethoxypropane Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1737947-0.05g |
3-isocyanato-1,1-dimethoxypropane |
1211507-34-4 | 0.05g |
$768.0 | 2023-09-20 | ||
| Enamine | EN300-1737947-0.1g |
3-isocyanato-1,1-dimethoxypropane |
1211507-34-4 | 0.1g |
$804.0 | 2023-09-20 | ||
| Enamine | EN300-1737947-0.25g |
3-isocyanato-1,1-dimethoxypropane |
1211507-34-4 | 0.25g |
$840.0 | 2023-09-20 | ||
| Enamine | EN300-1737947-0.5g |
3-isocyanato-1,1-dimethoxypropane |
1211507-34-4 | 0.5g |
$877.0 | 2023-09-20 | ||
| Enamine | EN300-1737947-1.0g |
3-isocyanato-1,1-dimethoxypropane |
1211507-34-4 | 1g |
$914.0 | 2023-06-04 | ||
| Enamine | EN300-1737947-2.5g |
3-isocyanato-1,1-dimethoxypropane |
1211507-34-4 | 2.5g |
$1791.0 | 2023-09-20 | ||
| Enamine | EN300-1737947-5.0g |
3-isocyanato-1,1-dimethoxypropane |
1211507-34-4 | 5g |
$2650.0 | 2023-06-04 | ||
| Enamine | EN300-1737947-10.0g |
3-isocyanato-1,1-dimethoxypropane |
1211507-34-4 | 10g |
$3929.0 | 2023-06-04 | ||
| Enamine | EN300-1737947-1g |
3-isocyanato-1,1-dimethoxypropane |
1211507-34-4 | 1g |
$914.0 | 2023-09-20 | ||
| Enamine | EN300-1737947-5g |
3-isocyanato-1,1-dimethoxypropane |
1211507-34-4 | 5g |
$2650.0 | 2023-09-20 |
3-isocyanato-1,1-dimethoxypropane Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
Additional information on 3-isocyanato-1,1-dimethoxypropane
Comprehensive Overview of 3-Isocyanato-1,1-dimethoxypropane (CAS No. 1211507-34-4): Properties, Applications, and Industry Trends
3-Isocyanato-1,1-dimethoxypropane (CAS 1211507-34-4) is a specialized organic compound gaining attention in advanced material synthesis due to its unique isocyanate functional group and acetal-protected structure. This molecule serves as a critical building block in polymer chemistry, particularly for designing moisture-resistant coatings, adhesives, and crosslinking agents. Its dimethoxypropane backbone enhances stability during storage and handling, addressing a common industry challenge with reactive intermediates.
Recent studies highlight the compound’s role in green chemistry initiatives, where researchers explore its potential in low-VOC formulations—a trending topic among environmental regulators and manufacturers. The CAS 1211507-34-4 identifier frequently appears in patent literature related to UV-curable resins and bio-based polymers, aligning with the surge in demand for sustainable materials. Analytical techniques like FT-IR spectroscopy and HPLC purity testing are essential for quality control, as impurities may affect performance in downstream applications.
From an industrial perspective, 3-isocyanato-1,1-dimethoxypropane bridges gaps between conventional urethane chemistry and novel click chemistry approaches. Its dual reactivity (isocyanate + acetal) enables sequential modification strategies, a feature leveraged in drug conjugate development and smart material design. Safety data sheets emphasize proper handling under inert atmospheres, though its dimethoxy stabilization reduces hazards compared to analogous compounds—a key differentiator for process engineers.
The compound’s structure-activity relationship has spurred academic interest, with QSAR modeling studies predicting optimal derivatives for specific applications. In adhesive formulations, its incorporation improves hydrolytic resistance—a property highly sought after in automotive and electronics encapsulation markets. Suppliers increasingly list 1211507-34-4 alongside custom synthesis services, reflecting growing niche demand from R&D sectors.
Emerging applications include self-healing materials, where the isocyanate group participates in dynamic covalent bonding. This aligns with the broader scientific discourse on circular economy materials—a hot topic in 2024 sustainability reports. Technical discussions often compare 3-isocyanato-1,1-dimethoxypropane with traditional isocyanates regarding reaction selectivity and compatibility with aqueous systems.
For analytical chemists, the CAS 1211507-34-4 substance presents interesting chromatographic behavior due to its polar-nonpolar duality. Method development papers suggest reverse-phase HPLC with MS detection for trace analysis—an approach gaining traction in quality assurance protocols. The compound’s spectral fingerprints (NMR, IR) are well-documented in SciFinder and Reaxys databases, serving as reference points for synthetic chemists.
Market analysts note steady growth in the specialty isocyanates segment, with 3-isocyanato-1,1-dimethoxypropane positioned as an enabler for high-performance composites. Its methoxy protection strategy inspires derivative development, particularly for controlled-release systems in agrochemicals and pharmaceuticals—addressing frequent queries about functional group compatibility in complex formulations.
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