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3,5-DIPHENYLDICARBONIC ACID, also known as diphenyltartaric acid, is a chemical compound characterized by the molecular formula C18H14O4. It manifests as a white crystalline solid with a melting point of 172-175°C and is notably insoluble in water. 3,5-DIPHENYLDICARBONIC ACID serves as a versatile building block in various chemical syntheses and has garnered interest for its potential medicinal properties.

4445-59-4

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4445-59-4 Usage

Uses

Used in Pharmaceutical Synthesis:
3,5-DIPHENYLDICARBONIC ACID is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the structural and functional diversity of drug molecules, enhancing their therapeutic efficacy and selectivity.
Used in Organic Compounds Synthesis:
In the realm of organic chemistry, 3,5-DIPHENYLDICARBONIC ACID is utilized as a reagent or building block for the creation of a wide array of organic compounds, contributing to the development of new materials and chemical entities.
Used in Dyes and Pigments Production:
3,5-DIPHENYLDICARBONIC ACID is used as a precursor in the production of dyes and pigments, where its chemical structure imparts color and stability to these products, which are essential in various industries such as textiles, paints, and plastics.
Used in Resins and Plastics Industry:
3,5-DIPHENYLDICARBONIC ACID is employed as a constituent in the formulation of resins and plastics, contributing to the physical and chemical properties of these materials, which are used extensively in manufacturing and construction.
Used in Medicinal Chemistry:
3,5-DIPHENYLDICARBONIC ACID is used as a compound of interest in medicinal chemistry due to its potential anti-inflammatory and anti-cancer properties, which are under investigation for the development of new therapeutic agents.
Used in Industrial Material Production:
3,5-DIPHENYLDICARBONIC ACID is utilized in the production of various industrial materials, where its chemical and physical properties are leveraged to improve the performance and characteristics of these materials.

Check Digit Verification of cas no

The CAS Registry Mumber 4445-59-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,4 and 5 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 4445-59:
(6*4)+(5*4)+(4*4)+(3*5)+(2*5)+(1*9)=94
94 % 10 = 4
So 4445-59-4 is a valid CAS Registry Number.

4445-59-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-phenylbenzene-1,3-dicarboxylic acid

1.2 Other means of identification

Product number -
Other names Biphenyl-3,5-dicarbonsaeure

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:4445-59-4 SDS

4445-59-4Downstream Products

4445-59-4Relevant academic research and scientific papers

Diphosphametacyclophanes: Structural and electronic influences of substituent variation within a family of bis(diketophosphanyl) macrocycles

Pearce, Kyle G.,Crossley, Ian R.

, p. 14697 - 14707 (2020/11/20)

The condensation of MeP(SiMe3)2 with a series of 5-substituted isophthaloyl chlorides (5-R′C6H3-2,6-{C(O)Cl}2) affords the diphosphametacyclophanes m-{-C(O)-C6H3-5-R′-(C(O)PMe)}2 (R′ = I, Me, tBu, Ph, and p-NCC6H4); the analogues m-{-C(O)-C5H3N-(C(O)PMe)}2 and m-{-C(O)-C6H4-(C(O)PPh)}2 are similarly obtained in preference to higher oligomers, in contrast to precedent reports. The cyclophanes all adopt butterfly-like conformations in the solid state with the P-organyl substituents adopting mutually exo arrangements. Structural and computational data suggest the nature of the 5-R substituent is key in directing the inter-ring angle and the extent of LUMO stabilization about the diketophophanyl scaffold. The latter is substantiated by UV/vis spectroscopy and cyclic voltammetry, which demonstrate these cyclophanes to be appreciably comparable to the diketophosphanyl systems commonly explored in the context of organic electronic materials; intriguingly, the distinct dikeophosphanyl moieties within the macrocycles appear effectively “insulated” by the macrocycle geometry, rather than acting as a through-conjugate.

Divergent pathways to isophthalates and naphthalate esters from methyl coumalate

Yu, Huangchao,Kraus, George A.

supporting information, p. 4008 - 4010 (2018/10/04)

Methyl coumalate readily reacts with enamines at ambient temperature to give lactones, which can be further transformed into isophthalates and tetrahydronaphthoates. Both cyclic and acyclic enamines show good reactivity. Dehydrogenation of tetrahydronaphthoate 4a was achieved on a hundred-gram scale.

Design and Synthesis of an MOF Thermometer with High Sensitivity in the Physiological Temperature Range

Zhao, Dian,Rao, Xingtang,Yu, Jiancan,Cui, Yuanjing,Yang, Yu,Qian, Guodong

, p. 11193 - 11199 (2015/12/17)

An important result of research on mixed-lanthanide metal-organic frameworks (M′LnMOFs) is the realization of highly sensitive ratiometric luminescent thermometers. Here, we report the design and synthesis of the new M′LnMOF Tb0.80Eu0.20BPDA with high relative sensitivity in the physiological temperature regime (298-318 K). The emission intensity and luminescence lifetime were investigated and compared to those of existing materials. It was found that the temperature-dependent luminescence properties of Tb0.80Eu0.20BPDA are strongly associated with the distribution of the energy levels of the ligand. Such a property can be useful in the design of highly sensitive M′LnMOF thermometers.

A Highly Stable Nanotubular MOF Rotator for Selective Adsorption of Benzene and Separation of Xylene Isomers

Huang, Wei,Jiang, Jun,Wu, Dayu,Xu, Jun,Xue, Bing,Kirillov, Alexander M.

, p. 10524 - 10526 (2015/11/27)

A remarkably stable tubular 3D Zn-MOF with hexagonal channels and a rare ptr topology was prepared under solvothermal conditions for liquid and vapor phase adsorption and separation of the C6-8 aromatic compounds. The material showed preferential affinity for benzene and can effectively separate benzene from its organic analogues under ambient conditions in both vapor and liquid phases. Furthermore, it exhibited preferable uptake of p-xylene over other C8 xylenes.

Process For Production of 5-Phenylisophthalic Acid

-

Page/Page column 6, (2009/07/03)

The present invention provides an industrially advantageous process for producing 5-phenylisophthalic acid, which process attains excellent selectivity and yield and also realizes recovery and reuse of a catalyst. The process for producing 5-phenylisophthalic acid represented by formula (1) is characterized in that the process includes the following steps (A) to (C): (A) reacting m-xylene with cyclohexene in the presence of hydrogen fluoride and boron trifluoride, to thereby produce 1-cyclohexyl-3,5-dimethylbenzene;(B) dehydrogenating the 1-cyclohexyl-3,5-dimethylbenzene produced in step (A) in the presence of a dehydrogenation catalyst, to thereby produce 3,5-dimethylbiphenyl; and(C) dissolving the 3,5-dimethylbiphenyl produced in step (B) in a solvent and oxidizing the 3,5-dimethylbiphenyl in the co-presence of an oxidation catalyst, to thereby produce 5-phenylisophthalic acid.

PROCESS FOR PRODUCTION OF 5-PHENYLISOPHTHALIC ACID

-

Page/Page column 9, (2009/01/24)

The present invention provides an industrially advantageous process for producing 5-phenylisophthalic acid, which process attains excellent selectivity and yield and also realizes recovery and reuse of a catalyst. The process for producing 5-phenylisophthalic acid represented by formula (1) is characterized in that the process includes the following steps (A) to (C): (A) reacting m-xylene with cyclohexene in the presence of hydrogen fluoride and boron trifluoride, to thereby produce 1-cyclohexyl-3,5-dimethylbenzene; (B) dehydrogenating the 1-cyclohexyl-3,5-dimethylbenzene produced in step (A) in the presence of a dehydrogenation catalyst, to thereby produce 3,5-dimethylbiphenyl; and (C) dissolving the 3,5-dimethylbiphenyl produced in step (B) in a solvent and oxidizing the 3,5-dimethylbiphenyl in the co-presence of an oxidation catalyst, to thereby produce 5-phenylisophthalic acid.

Electron deficient dienes. 4.1 A synthetic equivalent of 4-methyleneglutaconic acid, its mono and diethyl esters and their use in a concise general synthesis of isophthalic acids and isophthalates

Bodwell, Graham J.,Hawco, Krista M.,Satou, Teizi

, p. 879 - 881 (2007/10/03)

Reaction of a series of 2′-hydroxybenzophenone-3-carboxylic acid ethyl esters under Dakin reaction conditions affords isophthalic acid monoethyl esters, which can be converted into the corresponding diethyl isophthalates (6 examples) and isophthalic acid (1 example) by esterification and hydrolysis, respectively. This transformation renders the direct precursor of the benzophenones a synthetic equivalent of 4-methyleneglutaconic acid (4-methylenepent-2-enedioic acid) and its mono and diethyl esters.

Formation of cyclopent[a]indene and acenaphthylene from allyl esters of biphenyl mono- and di-carboxylic acids and from biphenyl dicarboxylic anhydrides on flash vacuum pyrolysis at 1000-1100°C

Bapat, Jayant B.,Brown, Roger F.C.,Bulmer, Glenn H.,Childs, Trevor,Coulston, Karen J.,Eastwood, Frank W.,Taylor, Dennis K.

, p. 1159 - 1182 (2007/10/03)

Flash vacuum pyrolysis at 1000-1100°C of the allyl esters of the three isomeric biphenylcarboxylic acids, of the allyl esters of the 12 biphenyldicarboxylic acids and of the three biphenyldicarboxylic anhydrides gave pyrolysates which were examined by 1H n.m.r. spectroscopy at temperatures below -50°C. In all cases the spectra showed the presence of cyclopent[a]indene and acenaphthylene together with other products. Possible mechanisms for these ring contraction and cyclization processes are discussed and the results of pyrolyses of [2,3-13C2]biphenyl-2,3-dicarboxylic anhydride, and [3,4-13C2]-and (2-2H1)-biphenyl-3,4-dicarboxylic anhydrides are reported.

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