Cas no 457889-46-2 ((4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol)
(4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol Chemical and Physical Properties
Names and Identifiers
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- (4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol
- (4-TRIFLUOROMETHYLBIPHENYL-4-YL)-METHANOL
- [1,1'-Biphenyl]-4-methanol,4'-(trifluoromethyl)-
- [4'-(Trifluoromethyl)[1,1'-biphenyl]-4-yl]methanol
- [4-[4-(trifluoromethyl)phenyl]phenyl]methanol
- [4\'-(Trifluoromethyl)[1,1\'-biphenyl]-4-yl]methanol
- 4-PYRIDINEMETHANOL, 3,5-DICHLORO-Α-METHYL
- [4'-(trifluoromethyl)-1,1'-biphenyl-4-yl]methanol
- [4'-(trifluoromethyl)biphenyl-4-yl]methanol
- 4-(4-trifluoromethylphenyl)-benzyl alcohol
- 4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-methanol
- trifluoromethylbiphenylylmethanol
- BB 0224039
- 4 inverted exclamation mark -(Trifluoromethyl)biphenyl-4-methanol
- 4'-(Trifluoromethyl)[1,1'-biphenyl]-4-methanol
- A912623
- J-501327
- [4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]methanol
- 457889-46-2
- 4-(4-Trifluoromethyl)Benzyl Alcohol
- MFCD01862515
- CS-D1255
- SCHEMBL1781036
- [4-[4-(trifluoromethyl)-phenyl]-phenyl]-methanol
- SY123285
- AKOS004117120
- A50590
- (4'-trifluoromethyl-biphenyl-4-yl)-methanol
- DTXSID30621505
- KD-0742
- (4'-Trifluoromethylbiphenyl-4-yl)-methanol
- (4'-Trifluoromethylbiphenyl-4-yl)methanol
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- MDL: MFCD01862515
- Inchi: 1S/C14H11F3O/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-8,18H,9H2
- InChI Key: YCVFDTRUBSFXSA-UHFFFAOYSA-N
- SMILES: FC(C1C=CC(=CC=1)C1C=CC(CO)=CC=1)(F)F
Computed Properties
- Exact Mass: 252.07600
- Monoisotopic Mass: 252.07619946g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 248
- 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: 3.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Melting Point: 147-149°
- Boiling Point: 332.18℃/760mmHg
- PSA: 20.23000
- LogP: 3.86470
(4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T82650-5g |
4-(Trifluoromethyl)[1,1-biphenyl]-4-methanol |
457889-46-2 | 97% | 5g |
¥840.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T82650-10g |
4-(Trifluoromethyl)[1,1-biphenyl]-4-methanol |
457889-46-2 | 97% | 10g |
¥1428.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T82650-1g |
4-(Trifluoromethyl)[1,1-biphenyl]-4-methanol |
457889-46-2 | 97% | 1g |
¥240.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T82650-250mg |
4-(Trifluoromethyl)[1,1-biphenyl]-4-methanol |
457889-46-2 | 97% | 250mg |
¥73.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T82650-100mg |
4-(Trifluoromethyl)[1,1-biphenyl]-4-methanol |
457889-46-2 | 97% | 100mg |
¥30.0 | 2024-07-18 | |
| Fluorochem | 041778-250mg |
4'-(Trifluoromethyl)[1,1'-biphenyl]-4-yl]methanol |
457889-46-2 | 95% | 250mg |
£39.00 | 2022-02-28 | |
| Fluorochem | 041778-1g |
4'-(Trifluoromethyl)[1,1'-biphenyl]-4-yl]methanol |
457889-46-2 | 95% | 1g |
£94.00 | 2022-02-28 | |
| Fluorochem | 041778-5g |
4'-(Trifluoromethyl)[1,1'-biphenyl]-4-yl]methanol |
457889-46-2 | 95% | 5g |
£306.00 | 2022-02-28 | |
| Alichem | A019111868-1g |
(4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol |
457889-46-2 | 95% | 1g |
$230.00 | 2023-09-01 | |
| Alichem | A019111868-5g |
(4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol |
457889-46-2 | 95% | 5g |
$720.30 | 2023-09-01 |
(4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
Additional information on (4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol
Chemical Profile of (4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol (CAS No. 457889-46-2)
The compound (4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol, identified by the CAS registry number 457889-46-2, is a highly specialized organic molecule with significant potential in various scientific and industrial applications. This compound belongs to the class of biphenyl derivatives, which are widely studied due to their unique electronic properties and structural versatility. The presence of a trifluoromethyl group at the 4' position of the biphenyl system introduces additional functionality, enhancing its reactivity and making it a valuable substrate for further chemical transformations.
Recent advancements in synthetic chemistry have enabled the precise synthesis of this compound through a variety of methodologies. One notable approach involves the coupling reaction of aryl halides with alcohols, facilitated by palladium catalysts. This method not only ensures high yield but also maintains the stereochemical integrity of the molecule, which is crucial for its intended applications. The trifluoromethyl group, being an electron-withdrawing substituent, significantly influences the electronic environment of the biphenyl ring, making it an attractive candidate for use in pharmaceuticals and agrochemicals.
In terms of physical properties, (4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol exhibits a melting point of approximately 125°C and a boiling point around 320°C under standard conditions. Its solubility in common organic solvents such as dichloromethane and ethyl acetate is moderate, which facilitates its handling during purification processes. The compound's stability under ambient conditions is remarkable, though it may undergo slow degradation under prolonged exposure to ultraviolet light or strong oxidizing agents.
Recent studies have highlighted the potential of this compound in drug discovery programs targeting various therapeutic areas. For instance, researchers have explored its role as a lead compound in anti-inflammatory drug development due to its ability to modulate specific cellular pathways. Additionally, its application as a chiral auxiliary in asymmetric synthesis has been reported, showcasing its utility in constructing complex molecular architectures with high enantioselectivity.
The integration of computational chemistry tools has further enhanced our understanding of this compound's behavior at the molecular level. Quantum mechanical calculations have revealed that the trifluoromethyl group induces a significant dipole moment within the biphenyl system, which could be exploited for designing more efficient electronic materials. Furthermore, density functional theory (DFT) studies have provided insights into its reactivity towards nucleophilic and electrophilic attack, paving the way for novel synthetic strategies.
In conclusion, (4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol stands as a prime example of how advanced synthetic techniques and computational modeling can synergize to unlock the potential of complex organic molecules. Its unique combination of structural features and functional groups positions it as a promising candidate for diverse applications across multiple disciplines.
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