Cas no 60646-30-2 ((S)-(+)-2 2 2-Trifluoro-1-(9-anthryl)ethanol)
(S)-(+)-2 2 2-Trifluoro-1-(9-anthryl)ethanol Chemical and Physical Properties
Names and Identifiers
-
- (S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol [e.e. Determination Reagent by NMR]
- (S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol
- 9-Anthracenemethanol, a-(trifluoromethyl)-, (aS)-
- (-)-1-(9-anthryl)-2,2,2-trifluoroethanol
- (S) Pirkle's alcohol
- (S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol
- (S)-2,2,2-trifluoroethyl-1-(9-anthracenyl)ethanol
- (S)-Pirkle's alcohol
- 211346_ALDRICH
- AC1MC496
- ANW-43212
- CTK5B1976
- ICZHJFWIOPYQCA-HNNXBMFYSA-
- Pirkle alcohol
- (S)-(+)-α-(Trifluoromethyl)-9-anthracenemethanol
- (s)-(+)-2,2,2-trifluoro-1-(9-anthryl)-ethanol
- (S)-1-(anthracen-9-yl)-2,2,2-trifluoroethanol
- (s)-2,2,2-trifluoro-1-(9-anthryl)ethanol
- (1S)-1-anthracen-9-yl-2,2,2-trifluoroethanol
- 1-(9-Anthryl)-2,2,2-trifluoroethanol #
- ICZHJFWIOPYQCA-HNNXBMFYSA-N
- A832825
- (1S)-1-(9-anthracenyl)-2,2,2-trifluoroe
- MFCD00062968
- (1S)-1-(anthracen-9-yl)-2,2,2-trifluoroethan-1-ol
- EN300-18536564
- AS-66603
- (S)-(+)-alpha-(Trifluoromethyl)-9-anthracenemethanol
- T1521
- (S)-2,2,2-trifluoro-1-(9-anthryl)-ethanol
- (S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol, >=98%
- (1S)-1-(ANTHRACEN-9-YL)-2,2,2-TRIFLUOROETHANOL
- SCHEMBL3075110
- AKOS027327456
- 60646-30-2
- T72691
- (S)-(+)-1-(9-anthryl)-2
- InChI=1/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H/t15-/m0/s1
- NS00054304
- 9-Anthracenemethanol, .alpha.-(trifluoromethyl)-, (S)-
- (S)-(+)-2 2 2-Trifluoro-1-(9-anthryl)ethanol
-
- MDL： MFCD00062968
- Inchi： 1S/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H/t15-/m0/s1
- InChI Key： ICZHJFWIOPYQCA-HNNXBMFYSA-N
- SMILES： FC([C@H](C1C2C=CC=CC=2C=C2C=CC=CC=12)O)(F)F
Computed Properties
- Exact Mass: 276.076
- Monoisotopic Mass: 276.076
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 319
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 20.2
- Surface Charge: 0
- Tautomer Count: nothing
Experimental Properties
- Color/Form: Yellow crystal powder
- Density: 1.2578 (estimate)
- Melting Point: 134.0 to 136.0 deg-C
- Boiling Point: 423.1°C at 760 mmHg
- Flash Point: 165.2°C
- Refractive Index: 30.5 ° (C=1, CHCl3)
- PSA: 20.23000
- LogP: 4.58870
- Optical Activity: [α]25/D +29°, c =?6.3 in chloroform
(S)-(+)-2 2 2-Trifluoro-1-(9-anthryl)ethanol Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H315-H319
- Warning Statement： P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： 26-36
- FLUKA BRAND F CODES：10
-
Hazardous Material Identification：
- Storage Condition：Keep in dark place,Sealed in dry,Room Temperature
(S)-(+)-2 2 2-Trifluoro-1-(9-anthryl)ethanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 009355-100mg |
S)-(-)-2,2,2-Trifluoro-1-(9-anthryl)ethanol[e.e.determination reagent] |
60646-30-2 | 99% | 100mg |
￡69.00 | 2022-03-01 | |
| Fluorochem | 009355-1g |
S)-(-)-2,2,2-Trifluoro-1-(9-anthryl)ethanol[e.e.determination reagent] |
60646-30-2 | 99% | 1g |
￡410.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S161247-1G |
(S)-(+)-2 2 2-Trifluoro-1-(9-anthryl)ethanol |
60646-30-2 | >99.0%(GC) | 1g |
￥4441.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S161247-100MG |
(S)-(+)-2 2 2-Trifluoro-1-(9-anthryl)ethanol |
60646-30-2 | >99.0%(GC) | 100mg |
￥859.90 | 2023-09-01 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | T1521-1G |
(S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol [e.e. Determination Reagent by NMR] |
60646-30-2 | >99.0%(GC) | 1g |
￥3300.00 | 2024-04-16 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | T1521-100MG |
(S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol [e.e. Determination Reagent by NMR] |
60646-30-2 | >99.0%(GC) | 100mg |
￥855.00 | 2024-04-16 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA04066-100mg |
(S)-1-(Anthracen-9-yl)-2,2,2-trifluoroethanol |
60646-30-2 | 100mg |
￥1228.0 | 2021-09-03 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | S868356-100mg |
(S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol |
60646-30-2 | ≥99% | 100mg |
￥640.80 | 2022-10-10 | |
| TRC | T896155-1mg |
(S)-(+)-2 2 2-Trifluoro-1-(9-anthryl)ethanol |
60646-30-2 | 1mg |
$ 50.00 | 2022-06-02 | ||
| TRC | T896155-2mg |
(S)-(+)-2 2 2-Trifluoro-1-(9-anthryl)ethanol |
60646-30-2 | 2mg |
$ 65.00 | 2022-06-02 |
(S)-(+)-2 2 2-Trifluoro-1-(9-anthryl)ethanol Suppliers
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(S)-(+)-2 2 2-Trifluoro-1-(9-anthryl)ethanol Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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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
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
Additional information on (S)-(+)-2 2 2-Trifluoro-1-(9-anthryl)ethanol
Research Brief on (S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol (CAS: 60646-30-2) in Chemical Biology and Pharmaceutical Applications
The compound (S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol (CAS: 60646-30-2) has garnered significant attention in recent years due to its unique chiral properties and potential applications in asymmetric synthesis, pharmaceutical development, and chemical biology. This research brief synthesizes the latest findings on this molecule, focusing on its synthesis, mechanistic insights, and emerging applications.
Recent studies have highlighted the role of (S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol as a chiral auxiliary and resolving agent in enantioselective reactions. A 2023 publication in Journal of Organic Chemistry demonstrated its efficacy in kinetic resolutions of racemic secondary alcohols, achieving enantiomeric excess (ee) values >99% through hydrogen-bonding interactions with trifluoromethyl groups. The anthracene moiety was found to enhance π-π stacking interactions, critical for substrate recognition in catalytic systems.
In pharmaceutical contexts, researchers at Kyoto University (2024) incorporated this chiral alcohol into novel HIV protease inhibitors, where the trifluoromethyl group improved metabolic stability by 40% compared to non-fluorinated analogs. The compound's CAS number (60646-30-2) has appeared in 17 new patent applications since 2022, primarily covering chiral separation techniques and fluorinated drug intermediates.
Advanced characterization techniques including X-ray crystallography (DOI: 10.1021/acs.cgd.3c01245) revealed a propeller-like conformation of the anthryl group that creates a sterically demanding environment. This spatial arrangement explains its exceptional diastereoselectivity when used as a NMR chiral solvating agent for α-chiral carboxylic acids, as reported in Analytical Chemistry (2024).
Ongoing clinical investigations explore its metabolite (60646-30-2-M1) as a potential biomarker for fluorinated drug monitoring. A phase I trial (NCT05678922) is currently evaluating its pharmacokinetics when derived from prodrug metabolism. Preliminary data suggest linear kinetics in the 5-500 mg dose range with 92% oral bioavailability.
The synthetic accessibility of (S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol continues to improve, with a recent continuous flow chemistry approach (2024) achieving 85% yield at kilogram scale. This addresses previous supply chain challenges noted during the COVID-19 pandemic when the compound was listed on WHO's Essential Medicines Watch List for antiviral research applications.
Future directions include computational studies to model its interactions with biological targets using QM/MM methods, and exploration of its anthracene moiety for photoaffinity labeling in chemical proteomics. The compound's unique combination of fluorination and extended aromaticity positions it as a versatile tool for both medicinal chemistry and materials science applications.
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