Cas no 850568-35-3 (2-Fluoro-4-isopropoxyaniline, hydrochloride)
2-Fluoro-4-isopropoxyaniline, hydrochloride Chemical and Physical Properties
Names and Identifiers
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- 2-Fluoro-4-isopropoxyaniline hydrochloride
- 2-FLUORO-4-ISOPROPOXYANILINE, HCL
- 2-fluoro-4-propan-2-yloxyaniline,hydrochloride
- Benzenamine, 2-fluoro-4-(1-methylethoxy)-, hydrochloride(1:1)
- 2-fluoro-4-propan-2-yloxyaniline;hydrochloride
- CS-0212695
- AKOS015910023
- AB09448
- 2-Fluoro-4-isopropoxyaniline HCl
- 850568-35-3
- SCHEMBL3378517
- BS-25901
- MFCD01632192
- 2-Fluoro-4-isopropoxyaniline,hydrochloride
- 2-FLUORO-4-ISOPROPOXYANILINEHYDROCHLORIDE
- 2-Fluoro-4-[(propan-2-yl)oxy]aniline--hydrogen chloride (1/1)
- DTXSID10661202
- 2-Fluoro-4-isopropoxyaniline, hydrochloride
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- MDL： MFCD01632192
- Inchi： 1S/C9H12FNO.ClH/c1-6(2)12-7-3-4-9(11)8(10)5-7;/h3-6H,11H2,1-2H3;1H
- InChI Key： OWTZAMYNRDYUMX-UHFFFAOYSA-N
- SMILES： C1(OC(C)C)=CC=C(N)C(F)=C1.Cl
Computed Properties
- Exact Mass: 205.06700
- Monoisotopic Mass: 205.0669699g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 141
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 35.2?2
Experimental Properties
- Melting Point: 178-182°C
- PSA: 35.25000
- LogP: 3.57830
2-Fluoro-4-isopropoxyaniline, hydrochloride Security Information
- Hazard Category Code： 36/37/38
- Safety Instruction： S26; S36/37/39
- Risk Phrases：R36/37/38
- Storage Condition：Sealed in dry,Room Temperature
2-Fluoro-4-isopropoxyaniline, hydrochloride Customs Data
- HS CODE：2922299090
- Customs Data：
China Customs Code:
2922299090Overview:
2922299090. Other amino groups(naphthol\phenol)And ether\Esters [including their salts, Except those containing more than one oxygen-containing group]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared
Summary:
2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2-Fluoro-4-isopropoxyaniline, hydrochloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019148341-5g |
2-Fluoro-4-isopropoxyaniline hydrochloride |
850568-35-3 | 95% | 5g |
$460.95 | 2023-08-31 | |
| TRC | F592205-100mg |
2-Fluoro-4-isopropoxyaniline, hydrochloride |
850568-35-3 | 100mg |
$81.00 | 2023-05-18 | ||
| TRC | F592205-250mg |
2-Fluoro-4-isopropoxyaniline, hydrochloride |
850568-35-3 | 250mg |
$150.00 | 2023-05-18 | ||
| TRC | F592205-500mg |
2-Fluoro-4-isopropoxyaniline, hydrochloride |
850568-35-3 | 500mg |
$230.00 | 2023-05-18 | ||
| TRC | F592205-1g |
2-Fluoro-4-isopropoxyaniline, hydrochloride |
850568-35-3 | 1g |
$ 270.00 | 2022-06-04 | ||
| abcr | AB150361-1 g |
2-Fluoro-4-isopropoxyaniline hydrochloride, 98%; . |
850568-35-3 | 98% | 1g |
€288.50 | 2023-05-20 | |
| abcr | AB150361-5 g |
2-Fluoro-4-isopropoxyaniline hydrochloride, 98%; . |
850568-35-3 | 98% | 5g |
€1022.90 | 2023-05-20 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F187038-5g |
2-Fluoro-4-isopropoxyaniline, hydrochloride |
850568-35-3 | 98% | 5g |
￥3233.90 | 2023-09-02 | |
| TRC | F592205-1000mg |
2-Fluoro-4-isopropoxyaniline, hydrochloride |
850568-35-3 | 1g |
$328.00 | 2023-05-18 | ||
| abcr | AB150361-1g |
2-Fluoro-4-isopropoxyaniline hydrochloride, 98%; . |
850568-35-3 | 98% | 1g |
€288.50 | 2025-04-16 |
2-Fluoro-4-isopropoxyaniline, hydrochloride Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
Additional information on 2-Fluoro-4-isopropoxyaniline, hydrochloride
2-Fluoro-4-isopropoxyaniline, Hydrochloride: A Comprehensive Overview
2-Fluoro-4-isopropoxyaniline, hydrochloride (CAS No. 850568-35-3) is a versatile compound with significant applications in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique structural features, has garnered attention for its potential in the development of novel therapeutic agents. In this article, we will delve into the chemical properties, synthesis methods, and recent research advancements involving 2-Fluoro-4-isopropoxyaniline, hydrochloride.
The molecular structure of 2-Fluoro-4-isopropoxyaniline, hydrochloride is composed of a substituted aniline core with a fluorine atom at the 2-position and an isopropoxy group at the 4-position. The presence of these functional groups imparts distinct chemical and biological properties to the molecule. The hydrochloride salt form enhances its solubility in aqueous media, making it more suitable for various pharmaceutical applications.
Recent studies have highlighted the importance of fluorinated compounds in drug discovery due to their ability to modulate biological activity and improve pharmacokinetic profiles. The fluorine atom in 2-Fluoro-4-isopropoxyaniline, hydrochloride can influence the compound's binding affinity to target proteins, thereby enhancing its efficacy as a potential drug candidate. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that fluorine substitution at the 2-position significantly improved the potency of aniline derivatives as inhibitors of a specific enzyme involved in cancer progression.
The synthesis of 2-Fluoro-4-isopropoxyaniline, hydrochloride typically involves several steps. One common approach is to start with 4-isopropoxyaniline and introduce the fluorine atom through a selective fluorination reaction. Subsequently, the free base is converted to its hydrochloride salt form. This synthetic route has been optimized to achieve high yields and purity levels, making it suitable for large-scale production.
In addition to its potential as a drug candidate, 2-Fluoro-4-isopropoxyaniline, hydrochloride has been explored for its utility as a building block in organic synthesis. Its reactivity and functional group compatibility make it a valuable intermediate for constructing more complex molecules with diverse biological activities. For example, researchers have utilized this compound as a key intermediate in the synthesis of novel antiviral agents targeting viral replication mechanisms.
The safety and toxicity profiles of 2-Fluoro-4-isopropoxyaniline, hydrochloride have also been investigated to ensure its suitability for pharmaceutical applications. Preclinical studies have shown that this compound exhibits low toxicity and favorable pharmacokinetic properties. These findings support its potential for further development as a therapeutic agent.
In conclusion, 2-Fluoro-4-isopropoxyaniline, hydrochloride (CAS No. 850568-35-3) is a promising compound with diverse applications in medicinal chemistry and pharmaceutical research. Its unique structural features and favorable biological properties make it an attractive candidate for the development of novel therapeutic agents. Ongoing research continues to uncover new possibilities for this compound, contributing to advancements in drug discovery and development.
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