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5-(Acetylamino)isophthalic acid is a chemical compound with the molecular formula C10H9NO5, derived from isophthalic acid, a common organic compound used as a precursor in the production of various polymers and resins. This functionalized version features an acetylamine group attached to the isophthalic acid core, which alters its chemical and physical properties, making it suitable for a range of applications in chemistry, materials science, and pharmaceuticals.

6344-50-9

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6344-50-9 Usage

Uses

Used in Chemical Synthesis:
5-(Acetylamino)isophthalic acid is used as a building block for the synthesis of various organic compounds and polymers, due to its functionalized structure that allows for further chemical reactions and modifications.
Used in Materials Science:
5-(Acetylamino)isophthalic acid is used as a precursor for the development of novel materials with specific properties, such as improved thermal stability, mechanical strength, or chemical resistance, by incorporating it into the structure of polymers and resins.
Used in Pharmaceutical Research:
5-(Acetylamino)isophthalic acid is used as a starting material for the design and synthesis of new pharmaceutical compounds, potentially leading to the discovery of new drugs with therapeutic applications.
Used in Drug Delivery Systems:
5-(Acetylamino)isophthalic acid can be used as a component in the development of drug delivery systems, where its functionalized structure may allow for the attachment of therapeutic agents or the creation of targeted drug carriers.
Used in Analytical Chemistry:
5-(Acetylamino)isophthalic acid can be employed as a reagent or a reference compound in various analytical techniques, such as chromatography, spectroscopy, or titration, to study the properties of other compounds or to develop new analytical methods.

Check Digit Verification of cas no

The CAS Registry Mumber 6344-50-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,3,4 and 4 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 6344-50:
(6*6)+(5*3)+(4*4)+(3*4)+(2*5)+(1*0)=89
89 % 10 = 9
So 6344-50-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H9NO5/c1-5(12)11-8-3-6(9(13)14)2-7(4-8)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)

6344-50-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

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

1.2 Other means of identification

Product number -
Other names 5-Acetamino-isophthalsaeure

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:6344-50-9 SDS

6344-50-9Downstream Products

6344-50-9Relevant academic research and scientific papers

Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties

Kobalz, Merten,Lincke, J?rg,Kobalz, Karolin,Erhart, Oliver,Bergmann, Jens,L?ssig, Daniel,Lange, Marcus,M?llmer, Jens,Gl?ser, Roger,Staudt, Reiner,Krautscheid, Harald

, p. 3030 - 3039 (2016)

Syntheses and comprehensive characterization of two closely related series of isomorphous metal-organic frameworks (MOFs) based on triazolyl isophthalate linkers with the general formula ∞3[M2(R1-R2-trz-ia)2] (M = Cu, Zn) are presented. Using solvothermal synthesis and synthesis of microcrystalline materials on the gram scale by refluxing a solution of the starting materials, 11 MOFs are readily available for a systematic investigation of structure-property relationships. The networks of the two series are assigned to rutile (rtl) (1-4) and α-PbO2 (apo) (5-9) topology, respectively. Due to the orientation of the triazole substituents toward the cavities, both the pore volume and the pore diameter can be adjusted by choice of the alkyl substituents. Compounds 1-9 exhibit pronounced microporosity with calculated porosities of 31-53% and show thermal stability up to 390 °C as confirmed by simultaneous thermal analysis. Systematic investigation of adsorption properties by CO2 (298 K) and N2 (77 K) adsorption studies reveal remarkable network flexibility induced by alkyl substituents on the linker. Fine-tuning of the gate opening pressure and of the hysteresis shape is possible by adjusting the substitution pattern and by choice of the metal ion.

Synthesis and Exfoliation of a New Layered Mesoporous Zr-MOF Comprising Hexa- A nd Dodecanuclear Clusters as Well as a Small Organic Linker Molecule

Leubner, Sebastian,Bengtsson, Viktor E. G.,Synnatschke, Kevin,Gosch, Jonas,Koch, Alexander,Reinsch, Helge,Xu, Hongyi,Backes, Claudia,Zou, Xiaodong,Stock, Norbert

, p. 15995 - 16000 (2020)

A new layered mesoporous Zr-MOF of composition [Zr30O20(OH)26(OAc)18L18] was synthesized by employing 5-acetamidoisophthalic acid (H2L) using acetic acid as the solvent. The new MOF, denoted as CAU-45, exhibits a honeycomb structure of stacked layers which comprise both hexa- A nd dodecanucelar zirconium clusters. Its structure was solved from submicrometer-sized crystals by continuous rotation electron diffraction (cRED). Liquid phase exfoliation and size selection were successfully performed on the material.

Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction

Karmakar, Anirban,Rúbio, Guilherme M. D. M.,Guedes Da Silva, M. Fátima C.,Hazra, Susanta,Pombeiro, Armando J. L.

, p. 4185 - 4197 (2015)

The novel self-assembled zinc(II) coordination polymers [Zn(L)(H2O)2]n (1), [Zn(L)(H2O)2]n·n(formamide) (2), [Zn(L)(H2O)2]n·n(N-methylformamide) (3), [Zn(L)

Isoreticular Chemistry of Group 13 Metal-Organic Framework Compounds Based on V-Shaped Linker Molecules: Exceptions to the Rule?

Grape, Erik Svensson,Inge, A. Ken,Lieb, Alexandra,Rabe, Timo,Reinsch, Helge,Rohr, Hauke,Stock, Norbert,W?hlbrandt, Stephan

, p. 8861 - 8869 (2021)

Following the concept of isoreticular chemistry, we carried out a systematic study on Ga-containing metal-organic frameworks (MOFs) using six V-shaped linker molecules of differing sizes, geometries, and additional functional groups. The linkers included three isophthalic acid derivatives (m-H2BDC-R, R = CH3, OCH3, NHCOCH3), thiophene-2,5-dicarboxylic acid (H2TDC), and two 4,4′-sulfonyldibenzoic acid derivatives (H2SDBA, DPSTA). The crystal structures of seven compounds were elucidated by a combination of model building, single-crystal X-ray diffraction (SCXRD), three-dimensional electron diffraction (3D ED), and Rietveld refinements against powder X-ray diffraction (PXRD) data. Four new Ga-MOFs that are isoreticular with their aluminum counterparts, i.e. Ga-CAU-10-R (Ga(OH)(m-BDC-R); R = OCH3, NHCOCH3), Ga-CAU-11 (Ga(OH)(SDBA)), and Ga-CAU-11-COOH (Ga(OH)(H2DPSTC)), were obtained. For the first time large single crystals of a MOF crystallizing in the CAU-10 structure type could be isolated, i.e. Ga-CAU-10-OCH3, which permitted a detailed structural characterization. In addition, the use of 5-methylisophthalic acid and thiophene-2,5-dicarboxylic acid resulted in two new Ga-MOFs denoted Ga-CAU-49 and Ga-CAU-51, respectively, which are not isostructural with any known Al-MOF. The crystal structure of Ga-CAU-49 ([Ga4(m-HBDC-CH3)2(m-BDC-CH3)3(OH)4(H2O)]) contains an unprecedented rod-shaped inorganic building unit (IBU) of the formula ∞1{Ga16(OH)18O60}, composed of corner-sharing GaO5 and GaO6 polyhedra. In Ga-CAU-51 ([Ga(OH)(C5H2O2S)]) chains of alternating cis and trans corner-sharing GaO6 polyhedra form the IBU. A detailed characterization of the title compounds was carried out, including nitrogen gas and water vapor sorption measurements. Ga-CAU-11 was the only compound exhibiting porosity toward nitrogen with a type I isotherm, a specific surface area of aS,BET = 210 m2/g, and a micropore volume of Vmic = 0.09 cm3/g. The new MOF Ga-CAU-51 exhibits exceptional water sorption properties with a reversible S-shaped isotherm and a high uptake around p/p0 = 0.38 of mads = 370 mg/g.

Thioacids mediated selective and mild N-acylation of amines

Mali, Sachitanand M.,Bhaisare, Rupal D.,Gopi, Hosahudya N.

, p. 5550 - 5555 (2013/07/25)

N-Acylated amines are ubiquitous in nature. Selective N-acylation at neutral conditions remains a key area of interest. Here we are reporting the copper sulfate-mediated highly selective, mild, and rapid N-acylation of various aliphatic and aromatic amines using thioacids in methanol at neutral conditions. All N-acylated products of primary and secondary amines were isolated in good to excellent yields. This method is found to be highly selective for the amines and not sensitive to other functional groups such as phenols, alcohols, and thiols. The simple workup, high yields, and high selectivity of this reaction can be an attractive alternative to those of the existing acyl halide- and acid anhydride-mediated N-acylation reactions.

Synthesis and evaluation of fully (5-amidoisophthalic acid)-functionalised polyacrylamides as selective inhibitors of the beta crystal polymorph of L-glutamic acid

Kelly, Dawn M.,Moynihan, Humphrey A.

experimental part, p. 5459 - 5466 (2010/08/13)

Poly-N-5-acrylamidoisophthalic acid (4), poly-N-(5-(N-(3,5-dicarboxyphenyl) carbamoyl)pentyl)acryl-amide (10a) and poly-N-(11-(N-(3,5-dicarboxyphenyl) carbamoyl)undecyl)acrylamide (10b) were prepared and assessed as polymorph-selective crystallization inhibitors of the stable b form of L-glutamic acid.Polymerization was carried out as the final step in the preparation of 10a and 10b to ensure the preparation of fully functionalized polymers.Polymers 4, 10a and 10b were effective as complete inhibitors of the stable b form of L-glutamic acid in quantities of 0.5% w/w or greater, whereas the corresponding 'monomeric' additives 2 and 11 required quantities of 3% or greater to completely inhibit the b form, demonstrating a cooperative binding effect by the polymeric additives.Within the series of polymers 4, 10a and 10b, polymer 10a, which features a short tethering chain, was the most effective.

Naaladase inhibitors for treating retinal disorders and glaucoma

-

, (2008/06/13)

The present invention relates to pharmaceutical compositions and methods for treating a retinal disorder or glaucoma using NAALADase inhibitors.

Naaladase inhibitors for treating amyotrophic lateral sclerosis

-

, (2008/06/13)

The present invention relates to pharmaceutical compositions and methods for treating amyotrophic lateral sclerosis using NAALADase inhibitors.

Benzenedicarboxylic acid derivatives

-

, (2008/06/13)

New benzenedicarboxylic acid derivative compounds; pharmaceutical compositions, diagnostic methods, and diagnstic kits that include those compounds; and methods of using those compounds for inhibiting NAALADase enzyme activity, detecting diseases where NAALADase levels are altered, effecting neuronal activity, effecting TGF-β activity, inhibiting angiogenesis, and treating glutamate abnormalities, neutopathy, pain, compulsive disorders, prostate diseases, cancers, and glaucoma.

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