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5-Methylisophthalic acid dimethylester, with the molecular formula C11H12O4, is a colorless to light yellow liquid chemical compound. It is characterized by its low volatility, high stability, and low toxicity, making it suitable for use in various industrial applications, particularly in the production of polymers, resins, and coatings where it functions as a crosslinking agent to enhance performance and durability.

17649-58-0

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17649-58-0 Usage

Uses

Used in Polymer Production:
5-Methylisophthalic acid dimethylester is used as a crosslinking agent in the production of polymers for its ability to improve the performance and durability of these materials.
Used in Resin Manufacturing:
In the resin industry, 5-Methylisophthalic acid dimethylester serves as a crosslinking agent, contributing to the enhanced properties of resins used in various applications.
Used in Coating Formulation:
5-Methylisophthalic acid dimethylester is utilized as a crosslinking agent in coating formulations, providing improved durability and performance of the coatings in different environments.
Used in High-Temperature and Harsh Environments:
Due to its high stability, 5-Methylisophthalic acid dimethylester is used in applications that require materials to withstand high temperatures and harsh conditions.
Used for Environmentally Friendly Applications:
Recognized for its low environmental impact and low toxicity, 5-Methylisophthalic acid dimethylester is favored in applications where environmental considerations are paramount.

Check Digit Verification of cas no

The CAS Registry Mumber 17649-58-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,7,6,4 and 9 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 17649-58:
(7*1)+(6*7)+(5*6)+(4*4)+(3*9)+(2*5)+(1*8)=140
140 % 10 = 0
So 17649-58-0 is a valid CAS Registry Number.

17649-58-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Methylisophthalsaeure-dimethylester

1.2 Other means of identification

Product number -
Other names Dimethyl 5-methylisophthalate

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:17649-58-0 SDS

17649-58-0Relevant academic research and scientific papers

Microporous Cyclen-Based Octacarboxylate Hydrogen-Bonded Organic Framework Exhibiting Selective Gas Adsorption

Stackhouse, Chavis,Ren, Junyu,Shan, Chuan,Nafady, Ayman,Al-Enizi, Abdullah M.,Ubaidullah, Mohd,Niu, Zheng,Ma, Shengqian

, p. 6377 - 6380 (2019)

A microporous hydrogen-bonded organic framework (HOF) was successfully prepared by a cyclen-based octacarboxylate ligand H8tacnip-Zn. The obtained three-dimensional structure presents a periodic double-layer unit that stacks to form a one-dimensional channel that buttresses discrete cavities (~5.6 × 5.6 ?2). From the single crystal structure, the macrocycle-bound metal ion was proven to greatly enhance the rigidity of the cyclen-based ligand while adjusting the direction of the carboxyl groups. The indelible porosity of degassed HOF was elucidated by CO2 sorption and selective gas adsorption. This work provides facile access to construct more porous HOFs based on a cyclen unit.

Second-Sphere Interaction Promoted Turn-On Fluorescence for Selective Sensing of Organic Amines in a TbIII-based Macrocyclic Framework

Huang, Xianqiang,Liu, Qingzhi,Liu, Shixi,Ma, Shengqian,Nafady, Ayman,Niu, Zheng,Ren, Junyu,Tsai, Chen-Yen,Ye, Yingxiang

, p. 23705 - 23712 (2021)

Guided by a second-sphere interaction strategy, we fabricated a Tb(III)-based metal—organic framework (MMCF-4) for turn-on sensing of methyl amine with ultra-low detection limit and high turn-on efficiency. MMCF-4 features lanthanide nodes shielded in a nonacoordinate geometry along with secondary coordination spheres that are densely populated with H-bond interacting sites. Nonradiative routes were inhibited by binding-induced rigidification of the ligand on the second coordination sphere, resulting in luminescence amplification. Such remote interacting mechanism involved in the turn-on sensing event was confirmed by single-crystal X-ray diffraction and molecular dynamic simulation studies. The design of both primary and secondary coordination spheres of Tb(III) enabled the first turn-on sensing of organic amines in aqueous conditions. Our work suggests a promising strategy for high-performance turn-on sensing for Ln-MOFs and luminous materials driven by other metal chromophores.

Efficient Gene Delivery Based on Guanidyl-Nucleic Acid Molecular Interactions

Wang, Dongli,Song, Jie,Wang, Jing,Zhang, Zhiyi,Shen, Qing,Wang, Jun,Guo, Haiyan,Wang, Ruifeng,Xie, Cao,Lu, Weiyue,Liu, Min

, (2020)

Low transfection efficacy of non-viral gene vectors restricts their applications. In this paper, N1,N3-dicarbamimidoyl-5-methylisophthalamide (BGG) is designed as a functional group, in which two guanidyls are located at the meta positions of an aryl ring. BGG is conjugated with PAMAM G5 (G5-BGG) and G5-BGG/DNA complex is dispersed into a polyvinyl alcohol (PVA) hydrogel for local injection. Molecular docking, NMR, IR and Isothermal titration calorimetry (ITC) experiments demonstrate that G5-BGG has multiple molecular interactions with nucleic acids, which yield high binding affinity toward nucleic acids. Interestingly, the in vitro transfection efficiency and serum stability of G5-BGG are significantly improved when the BGG modification ratio is just one. The integrated G5-BGG/DNA complex is released from a PVA hydrogel sustainably, crosses the cell membrane and escapes from endosome/lysosome. After local injection only once, these features of the G5-BGG/DNA-loaded PVA hydrogel are found to improve antitumor efficiency in vivo, and antitumor efficiency is significantly better than PEI 25K. The results confirm that BGG is a potential group for developing non-viral gene vectors with high transfection efficacy.

Manganese cluster-based MOF as efficient polysulfide-trapping platform for high-performance lithium-sulfur batteries

Liu, Xiao-Fei,Guo, Xiao-Qing,Wang, Rui,Liu, Qing-Chao,Li, Zhong-Jun,Zang, Shuang-Quan,Mak, Thomas C. W.

, p. 2838 - 2844 (2019)

Lithium-sulfur (Li-S) batteries have attracted wide attention due to their outstanding properties of high theoretical specific capacity and energy density. However, drawbacks such as the polysulfide shuttle effect have hampered their further practical application. Metal-organic frameworks (MOFs) have stimulated increasing interest in energy storage and conversion. In MOFs, the metal ions can be activated to provide open metal Lewis acid sites to restrain polysulfides. Aiming at sensible solutions, a novel manganese cluster-based MOF equipped with cubic cages, which are walled with abundant open-metal sites (OMSs) obtained from 9-manganese nodes, is used as the cathode host of Li-S batteries. The activated MOF not only provided physical capture and chemical adsorption against polysulfide shuttle but also allowed efficient impregnation of sulfur to facilitate mass transport. Benefiting from these synergetic effects, the composite cathode delivers enhanced electrochemical performance. The battery showed a remaining capacity of about 990 mA h g-1 after 200 cycles at 0.2C and an approximately repeatable rate performance. Significant contribution of the exposed functional metal sites was demonstrated by XPS and SEM of the electrode materials.

Slipping synthesis of cucurbit[7]uril-based [2]rotaxane in organic environment

Huang, Xinghua,Huang, Shiyao,Zhai, Baoqi,Zhang, Yu,Xu, Yanan,Wang, Qiaochun

, p. 6414 - 6417 (2012)

A dumbbell molecule with one naphthalimide and one isophthalic acid stoppers was synthesized and could fold into the cavity of cucurbit[7]uril (CB[7]) in formic acid to form a 1:1 complex. Once the solution of the complex was heated, the CB[7] ring would slip over the isophthalic acid unit, producing a stable [2]rotaxane. The energy barrier (H?) of this slippage was estimated as 109 kJ mol-1.

In situ generation of functionality in a reactive haloalkane-based ligand for the design of new porous coordination polymers

Kanoo, Prakash,Matsuda, Ryotaro,Sato, Hiroshi,Li, Liangchun,Jeon, Hyung Joon,Kitagawa, Susumu

, p. 10735 - 10737 (2013)

Herein, we report new porous coordination polymers (PCPs) via a facile synthetic approach called "in situ generation of functionality in the ligand". Upon a synthetic process of PCPs, a neutral (-CH2OH) or a cationic functionality (-CH2-[4,4′-bipyridine]+) was generated on a isophthalate ligand from a reactive haloalkane (-CH 2Br) moiety, affording two new PCPs. The PCPs have two-dimensional layered structures with large potential solvent-accessible voids for CO 2 adsorption.

FLOW CHEMISTRY SYNTHESIS OF ISOCYANATES

-

Paragraph 0175; 0186-0187; 0303-0305, (2021/06/22)

The disclosure provides, inter alia, safe and environmentally-friendly methods, such as flow chemistry, to synthesize isocyanates, such as methylene diphenyl diisocyanate, toluene diisocyanate, hexamethylene diisocyanate, isophorone diisocyanate, and tetramethylxylene diisocyanate.

COMPOUND, POLYMER, PATTERN FORMING MATERIAL, AND MANUFACTURING METHOD OF SEMICONDUCTOR DEVICE

-

, (2021/03/13)

A pattern forming material is configured to use for forming an organic film on a film to be processed, patterning the organic film, and then forming a composite film by infiltrating a metallic compound into the patterned organic film. The pattern forming material contains a polymer including a monomer unit represented by a general formula (3) described below, where R21 is H or CH3, each R22 is a hydrocarbon group of C2-14 where α carbon is primary carbon, secondary carbon or tertiary carbon, Q is a single bond or a hydrocarbon group of C1-20 carbon atoms which may include an oxygen atom, a nitrogen atom, or a sulfur atom between carbon-carbon atoms of or at a bond terminal, and a halogen atom may be substituted for the hydrogen atom.

Novel organic eutectic HPNPS-1 and preparation method thereof

-

Paragraph 0017-0018, (2019/10/04)

The invention provides novel organic eutectic HPNPS-1. The novel organic eutectic HPNPS-1 has a structure represented as [(CH3HL)(HPNPS)], wherein (CH3H2L) has a structure represented as in FORMULA (1), the HPNPS has a structure represented as in FORMULA (2), the organic eutectic HPNPS-1 belongs to a triclinic system and the space group P-1 and has following cell parameters: a=9.4832(6) angstroms, b=10.5687(6) angstroms, c=13.1942(7) angstroms, alpha=69.803 degrees, beta=69.854 degrees, gamma=84.981 degrees, V=1164.383, and Z=2. The invention further provides a preparation method of the novel organic eutectic HPNPS-1.

Peptidomimetic plasmepsin inhibitors with potent anti-malarial activity and selectivity against cathepsin D

Zogota, Rimants,Kinena, Linda,Withers-Martinez, Chrislaine,Blackman, Michael J.,Bobrovs, Raitis,Pantelejevs, Teodors,Kanepe-Lapsa, Iveta,Ozola, Vita,Jaudzems, Kristaps,Suna, Edgars,Jirgensons, Aigars

supporting information, p. 344 - 352 (2018/12/11)

Following up the open initiative of anti-malarial drug discovery, a GlaxoSmithKline (GSK) phenotypic screening hit was developed to generate hydroxyethylamine based plasmepsin (Plm) inhibitors exhibiting growth inhibition of the malaria parasite Plasmodium falciparum at nanomolar concentrations. Lead optimization studies were performed with the aim of improving Plm inhibition selectivity versus the related human aspartic protease cathepsin D (Cat D). Optimization studies were performed using Plm IV as a readily accessible model protein, the inhibition of which correlates with anti-malarial activity. Guided by sequence alignment of Plms and Cat D, selectivity-inducing structural motifs were modified in the S3 and S4 sub-pocket occupying substituents of the hydroxyethylamine inhibitors. This resulted in potent anti-malarials with an up to 50-fold Plm IV/Cat D selectivity factor. More detailed investigation of the mechanism of action of the selected compounds revealed that they inhibit maturation of the P. falciparum subtilisin-like protease SUB1, and also inhibit parasite egress from erythrocytes. Our results indicate that the anti-malarial activity of the compounds is linked to inhibition of the SUB1 maturase plasmepsin subtype Plm X.

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