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5-Methoxyisophthalic acid, also known as MeO-H2ip, is a white solid that is a degradation product of humic acid found in soil. It can be prepared from its dimethyl analog through oxidation in the presence of potassium permanganate in a pyridine-water mixture. This organic compound is known for its potential applications in various industries due to its unique chemical properties.

46331-50-4

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46331-50-4 Usage

Uses

Used in Chemical Synthesis:
5-Methoxyisophthalic acid is used as a key intermediate in the synthesis of various organic compounds, including mesophases formed by several homologs of achiral seven-ring bent-core compounds. Its ability to form mesophases makes it a valuable component in the development of new materials with unique properties.
Used in Coordination Chemistry:
In coordination chemistry, 5-Methoxyisophthalic acid is used as a ligand for the synthesis of metal-organic complexes. Some examples of these complexes include [Cd2(MeO-ip)2(bpp)2]n·nH2O and [Ni(MeO-ip)(bpp)(H2O)]n·nH2O, where bpp stands for 1,3-di(4-pyridyl)propane. These complexes exhibit interesting properties and potential applications in areas such as catalysis, magnetism, and luminescence.
Used in Environmental Science:
As a degradation product of humic acid, 5-Methoxyisophthalic acid plays a role in the understanding of soil chemistry and the environmental processes that occur within it. Studying its properties and behavior can provide insights into the formation, degradation, and cycling of organic matter in the soil, which is crucial for sustainable agriculture and environmental management.
Used in Pharmaceutical Research:
The unique chemical structure of 5-Methoxyisophthalic acid may offer potential applications in the pharmaceutical industry, particularly in the development of new drugs or drug delivery systems. Its ability to form complexes with metal ions could be exploited for targeted drug delivery or as a component in the design of novel therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 46331-50-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,6,3,3 and 1 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 46331-50:
(7*4)+(6*6)+(5*3)+(4*3)+(3*1)+(2*5)+(1*0)=104
104 % 10 = 4
So 46331-50-4 is a valid CAS Registry Number.

46331-50-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Methoxyisophthalic acid

1.2 Other means of identification

Product number -
Other names 5-methoxybenzene-1,3-dicarboxylic 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:46331-50-4 SDS

46331-50-4Relevant academic research and scientific papers

Highly Selective Carbon Dioxide Capture and Cooperative Catalysis of a Water-Stable Acylamide-Functionalized Metal–Organic Framework

Wang, Zhaoxu,Luo, Xin,Zheng, Baishu,Huang, Lu,Hang, Cheng,Jiao, Yinchun,Cao, Xiyang,Zeng, Wenjiang,Yun, Ruirui

, p. 1309 - 1314 (2018/04/02)

Incorporation of specific functionalities within the framework offers a significant opportunity to produce high-performance gas storage/separation and catalysis MOF materials. In this work, multifunctionalities, including hydrophobic methoxy groups, polar acylamide functionalities, and open copper(II) sites, have been successfully integrated into a twofold interpenetrated microporous MOF (HNUST-6, HNUST represents Hunan University of Science and Technology). HNUST-6 possesses permanent porosity, with a moderate BET surface area of 1093 m2 g–1 and high CO2 adsorption capacity (111 cm3 g–1 at 1 bar), with good selectivity for CO2 over CH4 (6.6) and N2 (30.3) at 273 K. Remarkably, this MOF material exhibits excellent water stability and its framework structure is retained after being immersed in boiling water. In addition, HNUST-6 demonstrates efficient catalytic activity as a cooperative catalyst in a tandem one-pot deacetalization Knoevenagel condensation reaction.

Substituents Have a Large Effect on Photochemical Generation of Benzyl Cations and DNA Cross-Linking

Fan, Heli,Sun, Huabing,Peng, Xiaohua

, p. 7671 - 7682 (2018/05/14)

Photoactivated DNA interstrand cross-linking agents have a wide range of biological applications. Recently, several aryl boronates have been reported to induce DNA interstrand cross-link (ICL) formation via carbocations upon photoirradiation. Herein, we synthesized a series of new bifunctional phenyl compounds to test the generality of such a mechanism, and to understand how the chemical structure influences carbocation formation and the DNA cross-linking process. These compounds efficiently form DNA ICLs via generated benzyl cations upon 350 nm irradiation. The DNA cross-linking efficiency and the pathway for carbocation generation depend on both the aromatic substituents and the leaving groups. Bromine as a leaving group facilitates the DNA cross-linking process in comparison with trimethyl ammonium salt. Both electron-donating and -withdrawing substituents induce bathochromic shifts, which favor photoinduced DNA ICL formation. For the bromides, the benzyl cation intermediates were generated through oxidation of the corresponding benzyl radicals. However, for the ammonia salts, the benzyl cations were formed through two pathways: either through oxidation of the benzyl radicals or by direct heterolysis of the C?N bond. Photoinduced C?N homolysis to form benzyl radicals occurred with compounds having donating substituents, whereas direct heterolysis of the C?N bond occurred with those bearing withdrawing substituents. The adducts formed between 1 a and four natural nucleosides were characterized, indicating that the alkylation sites for the photogenerated benzyl cations are dG, dA, and dC.

Self-Exfoliated Metal-Organic Nanosheets through Hydrolytic Unfolding of Metal-Organic Polyhedra

Garai, Bikash,Mallick, Arijit,Das, Anuja,Mukherjee, Rabibrata,Banerjee, Rahul

supporting information, p. 7361 - 7366 (2017/05/31)

Few-layers thick metal-organic nanosheets have been synthesized using water-assisted solid-state transformation through a combined top-down and bottom-up approach. The metal-organic polyhedra (MOPs) convert into metal-organic frameworks (MOFs) which subse

Coordination polymers of 5-substituted isophthalic acid

McCormick, Laura J.,Morris, Samuel A.,Slawin, Alexandra M. Z.,Teat, Simon J.,Morris, Russell E.

, p. 1123 - 1132 (2016/02/18)

The synthesis and characterisation of five coordination polymers - Ni2(mip)2(H2O)8·2H2O (1), Zn6(mip)5(OH)2(H2O)4·7.4H2O (2), Zn6

Coordination polymers of ZnII and 5-methoxy isophthalate

McCormick, Laura J.,Morris, Samuel A.,Teat, Simon J.,McPherson, Matthew J.,Slawin, Alexandra M. Z.,Morris, Russell E.

, p. 17686 - 17695 (2015/10/19)

Solvothermal reaction of Zn(OAc)2 and 5-methoxy isophthalic acid (H2MeOip) in aqueous alcohols ROH (R = H, Me, Et, or iPr) affords four different novel coordination polymers. Zn2(HMeOip)(MeOip)(OAc) (1) forms as a 1D 'ribbon of rings' polymer. Zn6(MeOip)4.5(HMeOip)(OH)2(H2O)2·5.5H2O (2) crystallises as a complex 3D framework. Zn(MeOip)(H2O)2 H2O (3) is a 1D coordination polymer that contains almost planar strips of Zn(MeOip). compound 4, Zn5(MeOip)4(OH)2(H2O)4·H2O, obtained from aqueous iPrOH, crystallises as a 2D polymer containing two crystallographically distinct Zn5(OH)2 clusters. Preliminary nitric oxide release experiments have been conducted.

Bispyrrolylbenzene anion receptor: From supramolecular switch to molecular logic gate

Granda, Jaroslaw M.,Staszewska-Krajewska, Olga,Jurczak, Janusz

supporting information, p. 12790 - 12795 (2015/03/30)

We have designed anion receptor 4 based on a conformationally labile bispyrrolylbenzene framework, the conformation of which can be changed by appropriate anionic stimuli. In the absence of fluoride anion, the pyrrole moieties rotate freely at room temperature. However, when the concentration of fluoride anion exceeds 2 equivalents, the rotation of the pyrrole units slows down and the conformation of the receptor changes to anti-anti. DFT calculations have shown that this change is due to binding of a third fluoride anion through C-H interaction. Anion receptor 4 can also serve as a molecular logic gate. Anionic inputs such as fluoride and dihydrogenphosphate allow the realization of INHIBIT and NAND logic gate functions with absorption and fluorescence as readouts, respectively.

Birch Reductive Alkylation of Methyl m-(Hydroxymethyl)benzoate Derivatives and the Behavior of o- and p-(Hydroxymethyl)benzoates under Reductive Alkylation Conditions

Fretz, Samuel J.,Hadad, Christopher M.,Hart, David J.,Vyas, Shubham,Yang, Dexi

, p. 83 - 92 (2013/03/29)

Birch reductive alkylation of methyl m-(hydroxymethyl)benzoate derivatives, using lithium in ammonia-tetrahydrofuran in the presence of tertbutyl alcohol, can be achieved without significant loss of benzylic oxygen substituents. Similar treatment of o- and p-(hydroxymethyl)benzoate derivatives results largely in loss of benzylic oxygen substituents. The results are rationalized by computations describing electron density patterns in the putative radical anion intermediate involved in these reactions.

Polycyanurate networks with enhanced segmental flexibility and outstanding thermochemical stability

Guenthner, Andrew J.,Davis, Matthew C.,Ford, Michael D.,Reams, Josiah T.,Groshens, Thomas J.,Baldwin, Lawrence C.,Lubin, Lisa M.,Mabry, Joseph M.

, p. 9707 - 9718 (2013/03/13)

The synthesis and physical properties of cyanurate networks formed from two new tricyanate monomers, 1,3,5-tris[(4-cyanatophenylmethyl]benzene and 3,5-bis[(4-cyanatophenylmethyl)]phenylcyanate, are reported and compared to those of 1,1,1-tris[(4-cyanatoph

DABCO-directed self-assembly of bisporphyrins (DABCO = 1,4-diazabicyclo[2. 2.2]octane)

Ballester, Pablo,Costa, Antoni,Castilla, Ana M.,Deya, Pere M.,Frontera, Antonio,Gomila, Rosa M.,Hunter, Christopher A.

, p. 2196 - 2206 (2007/10/03)

Three isomeric zinc bisporphyrins have been prepared by covalently linking together two aminoporphyrins with an isophthalic acid derivative. The porphyrins differ in the substitution pattern on the meso phenyl groups, that is, ortho, meta, or para. Titrations carried out by UV-visible and 1H NMR spectroscopy have been used to map out the stabilities and the stoichiometries of the complexes formed with 1,4-diazabicyclo[2.2.2]octane (DABCO) in chloroform. The ortho-and meta-substituted bisporphyrins form 1:1 intramolecular sandwich complexes. The para-substituted bisporphyrin cannot adopt the cofacial conformation required for this type of complex and forms a higher order 2:2 intermolecular assembly, which is stable over a wide range of DABCO concentrations.

Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists

-

, (2008/06/13)

The present invention provides compounds and pharmaceutical compositions that act as antagonists at metabotropic glutamate receptors, and that are useful for treating neurological diseases and disorders. Methods of preparing the compounds also are disclosed.

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