Cas no 885963-44-0 ([1,1'-Biphenyl]-3-methanol,3',4'-difluoro-)

[1,1'-Biphenyl]-3-methanol,3',4'-difluoro- is a fluorinated biphenyl derivative characterized by its hydroxylmethyl and difluoro substituents. This compound is of interest in pharmaceutical and materials chemistry due to its structural rigidity and electronic properties imparted by the fluorine atoms. The difluoro substitution enhances metabolic stability and lipophilicity, making it a valuable intermediate in drug discovery, particularly for kinase inhibitors and agrochemicals. The hydroxymethyl group provides a handle for further functionalization, enabling derivatization into esters, ethers, or other pharmacophores. Its well-defined stereochemistry and purity ensure reproducibility in synthetic applications. The compound is typically handled under inert conditions to preserve reactivity.
[1,1'-Biphenyl]-3-methanol,3',4'-difluoro- structure
885963-44-0 structure
Product Name:[1,1'-Biphenyl]-3-methanol,3',4'-difluoro-
CAS No:885963-44-0
MF:C13H10F2O
MW:220.214710712433
CID:712000
Update Time:2025-06-27

[1,1'-Biphenyl]-3-methanol,3',4'-difluoro- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3-methanol,3',4'-difluoro-
    • [3-(2,4-difluorophenyl)phenyl]methanol
    • 3-(2,4-Difluorophenyl)benzyl alcohol
    • [1,1'-Biphenyl]-3-methanol,3',4'-difluoro
    • 3-(3,4-Difluorophenyl)benzyl alcohol
    • [3-(3,4-difluorophenyl)phenyl]methanol
    • MDL: MFCD06858700
    • Inchi: 1S/C13H10F2O/c14-11-4-5-12(13(15)7-11)10-3-1-2-9(6-10)8-16/h1-7,16H,8H2
    • InChI Key: YHNJLQVNVWXMEX-UHFFFAOYSA-N
    • SMILES: C(O)C1=CC=CC(C2=CC=C(F)C=C2F)=C1

Computed Properties

  • Exact Mass: 220.07000
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 222
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.9

Experimental Properties

  • PSA: 20.23000
  • LogP: 3.12410

[1,1'-Biphenyl]-3-methanol,3',4'-difluoro- Customs Data

  • HS CODE:2906299090
  • Customs Data:

    China Customs Code:

    2906299090

    Overview:

    2906299090 Other aromatic alcohols. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2906299090 other aromatic alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

[1,1'-Biphenyl]-3-methanol,3',4'-difluoro- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1659264-1g
(2',4'-Difluoro-[1,1'-biphenyl]-3-yl)methanol
885963-44-0 98%
1g
¥3570.00 2024-04-26

Additional information on [1,1'-Biphenyl]-3-methanol,3',4'-difluoro-

Chemical Profile of [1,1'-Biphenyl]-3-methanol,3',4'-difluoro (CAS No. 885963-44-0)

[1,1'-Biphenyl]-3-methanol,3',4'-difluoro, identified by its CAS number 885963-44-0, is a fluorinated biphenyl derivative that has garnered significant attention in the field of pharmaceutical chemistry and materials science. This compound belongs to a class of molecules known for their unique structural and electronic properties, making them valuable in the development of advanced materials and therapeutic agents.

The molecular structure of [1,1'-Biphenyl]-3-methanol,3',4'-difluoro consists of two benzene rings connected by a methylene bridge, with fluoro substituents located at the 3' and 4' positions. The presence of fluorine atoms introduces electron-withdrawing effects, which can significantly influence the electronic properties and reactivity of the molecule. This structural feature makes it a promising candidate for applications in organic electronics, such as organic light-emitting diodes (OLEDs) and field-effect transistors (OFETs).

In recent years, there has been growing interest in fluorinated aromatic compounds due to their enhanced stability and improved bioavailability compared to their non-fluorinated counterparts. The introduction of fluorine atoms can alter the metabolic pathways of molecules, leading to increased resistance to degradation and better pharmacokinetic profiles. This has made fluorinated biphenyls particularly attractive for drug development.

One of the most compelling aspects of [1,1'-Biphenyl]-3-methanol,3',4'-difluoro is its potential application in the synthesis of novel pharmaceuticals. Researchers have been exploring its use as a building block for more complex molecules with targeted biological activities. For instance, derivatives of this compound have shown promise in the development of kinase inhibitors, which are critical in treating various types of cancer and inflammatory diseases.

The fluoro-substituted biphenyl core provides a rigid framework that can be modified at specific positions to achieve desired biological effects. The methanol group at the 3-position offers a site for further functionalization, allowing chemists to attach various pharmacophores that enhance binding affinity and selectivity. This flexibility has led to several innovative synthetic strategies aimed at optimizing the pharmacological properties of these compounds.

Recent studies have highlighted the role of fluorinated biphenyls in modulating protein-protein interactions. The electronic properties influenced by fluorine atoms can alter the conformational dynamics of proteins, thereby affecting their function. This has opened up new avenues for developing drugs that target protein-protein interactions, which are notoriously difficult to inhibit with traditional small-molecule compounds.

The synthesis of [1,1'-Biphenyl]-3-methanol,3',4'-difluoro involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic techniques such as cross-coupling reactions and palladium-catalyzed transformations have been employed to construct the desired molecular framework. The introduction of fluorine atoms often necessitates specialized reagents and methodologies due to the high electronegativity and reactivity of fluorine.

In addition to its pharmaceutical applications, this compound has shown potential in materials science. The combination of aromatic stability and electronic tunability makes it an excellent candidate for use in liquid crystal displays (LCDs) and organic photovoltaics (OPVs). Researchers are investigating its ability to form ordered molecular assemblies that could improve the performance of these devices.

The electronic properties of [1,1'-Biphenyl]-3-methanol,3',4'-difluoro can be fine-tuned by altering the substitution pattern on the biphenyl core. For example, varying the position and type of substituents can influence charge transport properties, making it possible to tailor materials for specific applications. This level of control is crucial for developing high-performance organic electronic devices.

Efforts are ongoing to develop sustainable synthetic routes for producing fluorinated biphenyls on an industrial scale. Green chemistry principles are being applied to minimize waste and reduce energy consumption during synthesis. These efforts are essential for ensuring that the production process is environmentally friendly while maintaining high yields and purity standards.

The impact of [1,1'-Biphenyl]-3-methanol,3',4'-difluoro on drug discovery is still being fully realized. As more research is conducted into its properties and applications, new opportunities are likely to emerge. Collaborative efforts between chemists, biologists, and engineers will be crucial in harnessing its full potential across multiple disciplines.

In conclusion, [1,1'-Biphenyl]-3-methanol,3',4'-difluoro (CAS No. 885963-44-0) represents a fascinating compound with diverse applications in pharmaceuticals and materials science. Its unique structural features and tunable properties make it a valuable tool for researchers seeking to develop innovative solutions in these fields.

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