Cas no 135132-44-4 (1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine)
1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine Chemical and Physical Properties
Names and Identifiers
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- 1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine
- (1R)-1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine
- (1S)-1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine
- 1-(4-(Difluoromethylthio)-phenyl)ethanamine
- 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine
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- MDL: MFCD19686497
- Inchi: 1S/C9H11F2NS/c1-6(12)7-2-4-8(5-3-7)13-9(10)11/h2-6,9H,12H2,1H3
- InChI Key: WXWQNZDMLQXMKZ-UHFFFAOYSA-N
- SMILES: S(C(F)F)C1C=CC(=CC=1)C(C)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 147
- Topological Polar Surface Area: 51.3
1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-82562-0.05g |
1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine |
135132-44-4 | 0.05g |
$839.0 | 2023-09-02 | ||
| Enamine | EN300-82562-0.1g |
1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine |
135132-44-4 | 0.1g |
$879.0 | 2023-09-02 | ||
| Enamine | EN300-82562-0.25g |
1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine |
135132-44-4 | 0.25g |
$920.0 | 2023-09-02 | ||
| Enamine | EN300-82562-0.5g |
1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine |
135132-44-4 | 0.5g |
$959.0 | 2023-09-02 | ||
| Enamine | EN300-82562-1.0g |
1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine |
135132-44-4 | 1.0g |
$999.0 | 2023-02-12 | ||
| Enamine | EN300-82562-2.5g |
1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine |
135132-44-4 | 2.5g |
$1959.0 | 2023-09-02 | ||
| Enamine | EN300-82562-5.0g |
1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine |
135132-44-4 | 5.0g |
$2899.0 | 2023-02-12 | ||
| Enamine | EN300-82562-10.0g |
1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine |
135132-44-4 | 10.0g |
$4299.0 | 2023-02-12 | ||
| Enamine | EN300-82562-1g |
1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine |
135132-44-4 | 1g |
$999.0 | 2023-09-02 | ||
| Enamine | EN300-82562-5g |
1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine |
135132-44-4 | 5g |
$2900.0 | 2023-09-02 |
1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
Additional information on 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine
Comprehensive Overview of 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine (CAS No. 135132-44-4)
1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine (CAS No. 135132-44-4) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. The compound features a difluoromethylsulfanyl group attached to a phenyl ring, which is further linked to an ethan-1-amine moiety. This combination of functional groups makes it a versatile intermediate for synthesizing bioactive molecules, particularly in the development of novel therapeutics and crop protection agents.
In recent years, the demand for fluorinated compounds like 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine has surged, driven by their enhanced metabolic stability and bioavailability. Researchers are particularly interested in its potential applications in drug discovery, where fluorinated analogs often exhibit improved pharmacokinetic profiles. The compound's sulfanylphenyl backbone also makes it a candidate for studying enzyme inhibition, a hot topic in cancer research and neurodegenerative disease therapeutics.
From an industrial perspective, CAS No. 135132-44-4 is frequently discussed in forums focusing on green chemistry and sustainable synthesis. With growing environmental concerns, chemists are exploring eco-friendly routes to synthesize such fluorinated amines, aligning with the principles of atom economy and reduced waste generation. This aligns with the broader trend of ESG (Environmental, Social, and Governance) compliance in chemical manufacturing.
The compound's nomenclature, 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine, often raises questions among students and professionals alike. Common search queries include "how to synthesize 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine" and "applications of difluoromethylsulfanyl groups in medicinal chemistry." These reflect the compound's relevance in academic and industrial training programs. Its structural complexity also makes it a frequent subject in NMR spectroscopy and mass spectrometry analysis tutorials.
In the context of intellectual property, CAS No. 135132-44-4 has been cited in several patents related to heterocyclic compound derivatives. This underscores its value in proprietary formulations, particularly in small molecule drug development. The rise of AI-driven drug design platforms has further amplified interest in such building blocks, as they serve as critical inputs for in silico screening libraries.
Quality control of 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine is another area of focus, with analytical methods like HPLC purity testing and residual solvent analysis being frequently discussed. Regulatory bodies emphasize stringent specifications for fluorinated intermediates, given their potential impact on downstream product safety. This has led to advancements in chiral separation techniques for enantiomerically pure forms of the compound.
Looking ahead, the compound's role in precision agriculture is being explored, particularly in designing next-generation pesticide adjuvants. Its sulfanyl moiety may contribute to targeted delivery systems, a key trend in smart farming solutions. Concurrently, collaborations between academia and industry are investigating its utility in material science, such as fluoropolymer modifications.
For researchers handling CAS No. 135132-44-4, proper storage conditions (typically under inert atmosphere) and handling protocols are essential considerations. While not classified as hazardous under standard regulations, its fluorinated nature warrants precautions during scale-up processes. These practical aspects are increasingly addressed in process chemistry webinars and good manufacturing practice (GMP) guidelines.
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