Cas no 17258-52-5 (3-(3-methylbutoxy)aniline)
3-(3-methylbutoxy)aniline Chemical and Physical Properties
Names and Identifiers
-
- 3-(3-methylbutoxy)aniline
- CTK6A8017
- 3-Isopentyloxy-anilin
- 3-(3-Methyl-butoxy)-anilin
- 3-(3-methylbutoxy)-benzenamine
- 3-(3-methylbutoxy)phenylamine
- SureCN10187328
- AC1Q1PGN
- ARONIS023708
- 3-(ISOPENTYLOXY)ANILINE
- AGN-PC-013PGW
- CTK6A8017; 3-Isopentyloxy-anilin; 3-(3-Methyl-butoxy)-anilin; 3-(3-methylbutoxy)-benzenamine; 3-(3-methylbutoxy)phenylamine; SureCN10187328; AC1Q1PGN; ARONIS023708; 3-(ISOPENTYLOXY)ANILINE; AGN-PC-013PGW;
- AKOS000150766
- AB01328900-02
- G33832
- Z239604758
- NCGC00337603-01
- CS-0251672
- DTXSID10586380
- SCHEMBL10187328
- 17258-52-5
- EN300-55710
- STL068935
-
- MDL: MFCD06800852
- Inchi: 1S/C11H17NO/c1-9(2)6-7-13-11-5-3-4-10(12)8-11/h3-5,8-9H,6-7,12H2,1-2H3
- InChI Key: HIZQGOGXVNCCEG-UHFFFAOYSA-N
- SMILES: O(C1C=CC=C(C=1)N)CCC(C)C
Computed Properties
- Exact Mass: 179.131014166g/mol
- Monoisotopic Mass: 179.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- 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
- XLogP3: 2.6
- Topological Polar Surface Area: 35.2?2
3-(3-methylbutoxy)aniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M295218-25mg |
3-(3-methylbutoxy)aniline |
17258-52-5 | 25mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M295218-50mg |
3-(3-methylbutoxy)aniline |
17258-52-5 | 50mg |
$ 70.00 | 2022-06-04 | ||
| TRC | M295218-250mg |
3-(3-methylbutoxy)aniline |
17258-52-5 | 250mg |
$ 250.00 | 2022-06-04 | ||
| Enamine | EN300-55710-0.05g |
3-(3-methylbutoxy)aniline |
17258-52-5 | 95.0% | 0.05g |
$42.0 | 2025-03-21 | |
| Enamine | EN300-55710-0.1g |
3-(3-methylbutoxy)aniline |
17258-52-5 | 95.0% | 0.1g |
$66.0 | 2025-03-21 | |
| Enamine | EN300-55710-0.25g |
3-(3-methylbutoxy)aniline |
17258-52-5 | 95.0% | 0.25g |
$92.0 | 2025-03-21 | |
| Enamine | EN300-55710-0.5g |
3-(3-methylbutoxy)aniline |
17258-52-5 | 95.0% | 0.5g |
$175.0 | 2025-03-21 | |
| Enamine | EN300-55710-1.0g |
3-(3-methylbutoxy)aniline |
17258-52-5 | 95.0% | 1.0g |
$256.0 | 2025-03-21 | |
| Enamine | EN300-55710-2.5g |
3-(3-methylbutoxy)aniline |
17258-52-5 | 95.0% | 2.5g |
$503.0 | 2025-03-21 | |
| Enamine | EN300-55710-5.0g |
3-(3-methylbutoxy)aniline |
17258-52-5 | 95.0% | 5.0g |
$743.0 | 2025-03-21 |
3-(3-methylbutoxy)aniline Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
Additional information on 3-(3-methylbutoxy)aniline
3-(3-Methylbutoxy)Aniline
The compound 3-(3-methylbutoxy)aniline (CAS No. 17258-52-5) is a versatile aromatic amine derivative with significant applications in various chemical industries. This compound, also referred to as N-(3-methylbutoxy)-benzeneamine, is characterized by its unique chemical structure, which combines an aniline moiety with a substituted ether group. The molecule's structure consists of a benzene ring substituted with an amino group (-NH?) at the para position relative to the ether group (-O-CH?-C(CH?)?). This configuration imparts distinctive electronic and steric properties, making it suitable for a wide range of chemical reactions and applications.
Recent advancements in synthetic chemistry have enabled the efficient synthesis of 3-(3-methylbutoxy)aniline through various routes, including nucleophilic aromatic substitution and coupling reactions. Researchers have explored the use of transition metal catalysts, such as palladium complexes, to facilitate these reactions under mild conditions. These methods not only enhance the yield but also improve the purity of the final product, making it more viable for industrial-scale production.
The compound's electronic properties make it an excellent candidate for applications in organic electronics and material science. For instance, studies have shown that 3-(3-methylbutoxy)aniline can be used as a precursor for synthesizing conductive polymers and organic semiconductors. These materials exhibit promising electrical properties, which are critical for applications in flexible electronics, light-emitting diodes (LEDs), and photovoltaic devices.
In the pharmaceutical industry, 3-(3-methylbutoxy)aniline has been investigated as a potential lead compound for drug development. Its ability to act as a chelating agent and its capacity to form stable complexes with metal ions have been explored in the context of designing novel anti-inflammatory and anticancer agents. Recent research has highlighted its role in modulating cellular signaling pathways, offering new avenues for therapeutic intervention.
The steric bulk introduced by the 3-methylbutoxy group also makes 3-(3-methylbutoxy)aniline an attractive substrate for asymmetric catalysis. Enantioselective synthesis of this compound has been achieved using chiral ligands, enabling the production of enantiopure derivatives with potential applications in chiral resolution and asymmetric synthesis.
Moreover, 3-(3-methylbutoxy)aniline has found utility in agrochemicals, particularly as a precursor for herbicides and fungicides. Its ability to inhibit key enzymes involved in plant metabolism has been leveraged to develop environmentally friendly agricultural chemicals that minimize adverse effects on non-target species.
Recent studies have also focused on the environmental fate and toxicity of 3-(3-methylbutoxy)aniline. Researchers have investigated its biodegradation pathways under aerobic and anaerobic conditions, as well as its potential impact on aquatic ecosystems. These studies aim to ensure that its use aligns with sustainable practices and regulatory standards.
In summary, 3-(3-methylbutoxy)aniline (CAS No. 17258-52-5) is a multifaceted compound with diverse applications across various fields. Its unique chemical properties, coupled with advancements in synthetic methods and application development, continue to expand its role in modern chemistry and material science.
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