Cas no 457889-46-2 ((4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol)

(4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol is a biphenyl derivative featuring a trifluoromethyl group at the 4'-position and a hydroxymethyl group at the 4-position. This compound is valuable in organic synthesis and pharmaceutical research due to its versatile reactivity, particularly in cross-coupling reactions and as a building block for more complex structures. The trifluoromethyl group enhances lipophilicity and metabolic stability, making it useful in drug discovery. The hydroxymethyl group allows for further functionalization, enabling derivatization into esters, ethers, or other intermediates. Its well-defined structure and high purity make it suitable for applications in material science and agrochemical development.
(4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol structure
457889-46-2 structure
Product Name:(4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol
CAS No:457889-46-2
MF:C14H11F3O
MW:252.231754541397
MDL:MFCD01862515
CID:328499
PubChem ID:22015014
Update Time:2025-05-20

(4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • (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
    • 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 Security Information

  • HazardClass:IRRITANT

(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

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.

Recommended suppliers
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.