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2-Fluoroterephthalic acid is a chemical compound with the formula C8H5FO4, derived from terephthalic acid by substituting one hydrogen atom on the aromatic ring with a fluorine atom. This modification endows the compound with unique properties, making it a versatile building block in various industrial and research applications.

3906-87-4

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3906-87-4 Usage

Uses

Used in Polymer Production:
2-Fluoroterephthalic acid is used as a monomer in the production of polymers, such as polyethylene terephthalate (PET), for its ability to enhance the properties of the resulting polymers. The incorporation of the fluorine atom improves the polymer's thermal stability, chemical resistance, and mechanical strength, making it suitable for manufacturing plastic bottles and containers.
Used in Organic Electronics:
2-Fluoroterephthalic acid is utilized as a precursor in the development of organic electronic materials, such as organic light-emitting diodes (OLEDs) and organic solar cells. The presence of the fluorine atom can influence the electronic properties of these materials, leading to improved performance and efficiency.
Used in Pharmaceutical and Agrochemical Synthesis:
2-Fluoroterephthalic acid serves as a key intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure allows for the development of new compounds with potential therapeutic or pesticidal properties, contributing to advancements in medicine and agriculture.
Used in Research and Development:
Due to its stability and non-toxic nature, 2-Fluoroterephthalic acid is employed as a building block in research and development for exploring new chemical reactions, synthesis pathways, and potential applications in various fields, including materials science, chemical engineering, and environmental chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 3906-87-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,9,0 and 6 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 3906-87:
(6*3)+(5*9)+(4*0)+(3*6)+(2*8)+(1*7)=104
104 % 10 = 4
So 3906-87-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H5FO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)

3906-87-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Fluoroterephthalic acid

1.2 Other means of identification

Product number -
Other names 2-fluoroterephthalic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:3906-87-4 SDS

3906-87-4Relevant academic research and scientific papers

Preparation method of aromatic dicarboxylic acid derivative

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, (2021/03/11)

The invention provides a preparation method of an aromatic dicarboxylic acid derivative, wherein the preparation method comprises the following steps: step 1, carrying out a coupling reaction on dihalogenated aromatic hydrocarbon and metal cyanide at a temperature of 40-200 DEG C under metal catalysis in a solvent, and carrying out extraction layering concentration to obtain a dicyano compound after the reaction is finished; and step 2, carrying out a hydrolysis reaction on the obtained dicyanogen compound at the temperature of 60-200 DEG C under an acidic condition, and carrying out post-treatment to obtain the final product. According to the preparation method of the aromatic dicarboxylic acid derivative, dihalogenated aromatic hydrocarbon reacts with metal cyanide and then is hydrolyzedunder the acidic condition to obtain aromatic acid or the derivative thereof, and the preparation method has the remarkable advantages that the raw materials are cheap and easy to obtain, operation is easy and convenient, the yield is high, three wastes are easy to dispose, the product quality is high, and the substrate tolerance is good.

Flexible multidentate benzyldiamine derivatives with high affinity for β-amyloid in cerebral amyloid angiopathy

He, Yujia,Fu, Tingting,Li, Yuying,Xue, Weiwei,Cui, Mengchao,Wang, Liang,Niu, Mengda,Peng, Zhiping,Jia, Jianhua

, p. 525 - 533 (2020/05/25)

Abstract: Cerebral amyloid angiopathy (CAA) commonly found in the aged is pathologically characterized by β-amyloid (Aβ) deposition in the walls of arteries and capillaries of brain. In this study, four flexible multidentate benzyldiamine derivatives as potential probes for cerebrovascular Aβ deposition were designed and synthesized. In in vitro inhibition assays, the ligands 18–21 displayed high affinities for Aβ aggregates with Ki values of 1.45 ± 0.53?nM, 1.68 ± 0.35?nM, 1.16 ± 0.23?nM and 1.72 ± 0.19?nM, respectively. A significant improvement in the binding affinity over the monomer, compounds 9–12 or benzyldiamine derivatives, demonstrated the applicability of the multidentate approach. The underlying mechanism of these novel Aβ agents was explored by molecular docking technique, which theoretically verified the high affinities of the multidentate benzyldiamine derivatives for Aβ aggregates. Moreover, the molecular masses of the ligands 18–21 are more than 700 Dalton, which are believed to be hardly capable of penetrating blood brain barrier. In this regard, these ligands could be used to distinguish CAA from Alzheimer’s disease which is another Aβ-related disorder disease. To convert these ligands to positron emission tomography imaging agents, we attempted to radiosynthesize [18F]18. Though the radiolabeling was not very successful, the preliminary results suggested that these newly proposed multidentate benzyldiamine derivatives may be used as potential Aβ imaging agents in cerebral amyloid angiopathy. Graphic abstract: [Figure not available: see fulltext.].

BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING SAME

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Paragraph 00969-00971; 001056-001058, (2019/06/05)

Provided herein are compounds and methods for modulating abnormal repeat expansions of gene sequences. More particularly, provided are inhibitors of RNA and the uses of such inhibitors in regulating nucleotide repeat expansions, e.g., to treat Myotonic Dystrophy Type 1 (DM1 ), Myotonic Dystrophy Type 2 (DM2), Fuchs dystrophy, Huntington Disease, Amyotrophic Lateral Sclerosis, or Frontotemporal Dementia.

Defect Engineering into Metal-Organic Frameworks for the Rapid and Sequential Installation of Functionalities

Park, Hyojin,Kim, Seongwoo,Jung, Byunghyuck,Park, Myung Hwan,Kim, Youngjo,Kim, Min

supporting information, p. 1040 - 1047 (2018/02/14)

Postsynthetic treatments are well-known and important functionalization tools of metal-organic frameworks (MOFs). Herein, we have developed a practical and rapid postsynthetic ligand exchange (PSE) strategy using a defect-controlled MOF. An increase in the number of defects amounts to MOFs with enhanced rates of ligand exchange in a shorter time frame. An almost quantitative exchange was achieved by using the most defective MOFs. This PSE strategy is a straightforward method to introduce a functionality into MOFs including bulky or catalytically relevant moieties. Furthermore, some mechanistic insights into PSE were revealed, allowing for a sequential ligand exchange and the development of multifunctional MOFs with controlled ligand ratios.

Cerium-based metal organic frameworks with UiO-66 architecture: Synthesis, properties and redox catalytic activity

Lammert, Martin,Wharmby, Michael T.,Smolders, Simon,Bueken, Bart,Lieb, Alexandra,Lomachenko, Kirill A.,De Vos, Dirk,Stock, Norbert

supporting information, p. 12578 - 12581 (2015/08/06)

A series of nine Ce(IV)-based metal organic frameworks with the UiO-66 structure containing linker molecules of different sizes and functionalities were obtained under mild synthesis conditions and short reaction times. Thermal and chemical stabilities were determined and a Ce-UiO-66-BDC/TEMPO system was successfully employed for the aerobic oxidation of benzyl alcohol.

COBALT COMPLEX AND METHOD FOR PRODUCING THE SAME

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Paragraph 0066-0070, (2020/10/16)

PROBLEM TO BE SOLVED: To provide a metal complex having high gas adsorbing and desorbing capability which can be an adsorbing-desorbing agent, a separation agent or a hydrogen storage material. SOLUTION: There is provided a fluorine-containing cobalt complex represented by the formula (1). (R represents one or more selected from the group consisting of H, a halogen atom, a nitro group, an amino group, a hydroxy group, a cyano group, an alkyl group having 1 to 4 carbon atoms, a haloalkyl group having 1 to 4 carbon atoms, an alkyloxy group having 1 to 4 carbon atoms, a haloalkyloxy group having 1 to 4 carbon atoms and a vinyl group; DA represents a diamine having two nitrogen atoms having an unshared electron pair; SOL represents at least one selected from the group consisting of water, a sulfoxide compound, a sulfone compound, an amide compound, a nitrile compound and alcohol; x represents a value of 0 to 1; y represents a value of 0 to 4; n represents an integer of 1 to 3; and m represents an integer of 0 to 4.) COPYRIGHT: (C)2015,JPO&INPIT

Microwave-assisted solvothermal synthesis and optical properties of tagged MIL-140A metal-organic frameworks

Liang, Weibin,Babarao, Ravichandar,D'Alessandro, Deanna M.

supporting information, p. 12878 - 12880 (2013/12/04)

A series of tagged MIL-140A-R frameworks have been synthesized using a microwave-assisted solvothermal method. Compared with their UiO-66-R polymorphs, the absorption energies in the MIL-140A-R series (R = NH2, NO 2, Br, Cl, and F) are extended toward the visible region because of the spatial arrangement of the linkers.

Single- and mixed-linker Cr-MIL-101 derivatives: A high-throughput investigation

Lammert, Martin,Bernt, Stephan,Vermoortele, Frederik,De Vos, Dirk E.,Stock, Norbert

supporting information, p. 8521 - 8528 (2013/09/02)

New single- and mixed-linker Cr-MIL-101 derivatives bearing different functional groups have been synthesized. The influence of the reaction parameters, such as metal source (CrO3, CrCl3, and Cr(NO3)3·9H2O) or linker composition, on product formation have been investigated using high-throughput methods. Highly crystalline Cr-MIL-101 materials were obtained with CrCl3 as the metal source with either 2-bromoterephthalic (TA-Br) or 2-nitroterephthalic (TA-NO2) acid as one of the mixed-linker components. On the basis of these results, numerous new mixed-linker Cr-MIL-101 derivatives containing -NH2, -NO2, -H, -SO3H, -Br, -OH, -CH 3, and -COOH have been synthesized. The use of TA-NH2 and TA-OH were shown, under the same reaction conditions, to lead to decarboxylation and the formation of 3-amino- and 3-hydroxybenzoic acid, respectively. Furthermore, we were also able to directly synthesize single-linker Cr-MIL-101-X derivatives with X = F, Cl, Br, CH3. Postsynthetic modification was used to selectively reduce the mixed-linker compound Cr-MIL-101-Br-NO 2 to Cr-MIL-101-Br-NH2. To establish the successful incorporation of the linker molecules and possible decomposition of certain starting materials, 1H NMR spectra of dissolved reaction products were recorded.

Electronic effects of linker substitution on Lewis acid catalysis with metal-organic frameworks

Vermoortele, Frederik,Vandichel, Matthias,Van De Voorde, Ben,Ameloot, Rob,Waroquier, Michel,Van Speybroeck, Veronique,De Vos, Dirk E.

supporting information; experimental part, p. 4887 - 4890 (2012/06/18)

Functionalized linkers can greatly increase the activity of metal-organic framework (MOF) catalysts with coordinatively unsaturated sites. A clear linear free-energy relationship (LFER) was found between Hammett m values of the linker substituents X and the rate kX of a carbonyl-ene reaction. This is the first LFER ever observed for MOF catalysts. A 56-fold increase in rate was found when the substituent is a nitro group (see picture). Copyright

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