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DiMethyl 5-Bromomethyl-1,3-Benzene-Dicarboxylate, a chemical compound with the molecular formula C11H11BrO4, is a derivative of benzene and dicarboxylic acid. It features a bromomethyl and two methyl groups attached to the benzene ring, making it a versatile building block in organic synthesis and chemical research.

42268-88-2

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42268-88-2 Usage

Uses

Used in Organic Synthesis:
DiMethyl 5-Bromomethyl-1,3-Benzene-Dicarboxylate is used as a building block for the preparation of various pharmaceuticals, agrochemicals, and other bioactive compounds. Its unique structure allows for the creation of a wide range of molecules with potential applications in different industries.
Used in Chemical Research:
In the field of chemical research, DiMethyl 5-Bromomethyl-1,3-Benzene-Dicarboxylate serves as a valuable intermediate for the development of new chemical compounds and materials. Its properties and reactivity can be studied and utilized to advance scientific understanding and innovation.
Used in Specialty Polymers and Materials Production:
DiMethyl 5-Bromomethyl-1,3-Benzene-Dicarboxylate may have potential as an intermediate in the production of specialty polymers and materials. Its unique structure and functional groups can contribute to the development of new materials with specific properties and applications.
Safety Precautions:
It is important to handle and use DiMethyl 5-Bromomethyl-1,3-Benzene-Dicarboxylate with caution, as it may be hazardous if not properly managed. Proper safety measures, including the use of personal protective equipment and adherence to safety protocols, should be followed to minimize risks associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 42268-88-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,2,2,6 and 8 respectively; the second part has 2 digits, 8 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 42268-88:
(7*4)+(6*2)+(5*2)+(4*6)+(3*8)+(2*8)+(1*8)=122
122 % 10 = 2
So 42268-88-2 is a valid CAS Registry Number.

42268-88-2SDS

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-bromomethylisophthalic acid dimethyl ester

1.2 Other means of identification

Product number -
Other names dimethyl 5-(bromomethyl)benzene-1,3-dioate

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:42268-88-2 SDS

42268-88-2Relevant academic research and scientific papers

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

supporting information, p. 23705 - 23712 (2021/09/22)

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.

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

-

Paragraph 0016; 0159-0160, (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.

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

, (2020/09/21)

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.

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 (2019/10/11)

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.

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.

supporting information, p. 2838 - 2844 (2019/02/12)

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.

Novel organic eutectic HPNPS-1 and preparation method thereof

-

Paragraph 0019, (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.

Reversible photochromic and fluorescent switch bifunctional material and preparation method thereof

-

Paragraph 0046; 0049; 0051; 0058; 0063; 0070; 0075, (2019/01/08)

The invention discloses a reversible photochromic and fluorescent switch bifunctional material. A chemical formula is [Eu2(L)(NO3)4(HOCH2CH2OH)2]n. A preparation method comprises synthesis of a ligand1,1'-di(3,5-dicarboxybenzyl)-4,4'-bipyridyl chloride H4LCl2 and preparation of [Eu2(L)(NO3)4(HOCH2CH2OH)2]n. The synthetic method has the advantages of simple process, easy availability of raw material, low cost, convenient operation, high yield and good reproducibility. When the light color changes from light yellow to dark blue, the crystal shape and structure of the bifunctional material be kept, and the appearance of a fluorescent on/off process can be generated in the process of discoloration, the reversible fluorescence on/off behavior and photochromic performance have not obvious change after repeated cycles, and the material has broad application prospects.

Hierarchical self-assembly of triangular metallodendrimers into the ordered nanostructures

Jiang, Bo,Chen, Li-Jun,Zhang, Ying,Tan, Hong-Wei,Xu, Lin,Yang, Hai-Bo

supporting information, p. 607 - 612 (2016/04/26)

We designed and constructed a new family of 60° dendritic dipyridyl donors, from which two novel triangular metallodendrimers were successfully prepared via coordination-driven self-assembly. Inspired by the existence of multiple intermolecular interactions (e.g., π-π stacking and CH-π interactions) imposed by the DMIP-functionalized poly(benzyl ether) dendrons, their hierarchical self-assembly behaviors were studied in various mixed solvents by using scanning electron microscopy (SEM). Interestingly, it was found that the morphologies of the obtained metallodendrimers were highly depended on the dendron generation. For example, the first-generation metallodendrimer was able to hierarchically self-assemble into the spherical nanostructures in various mixed solvents. However, the nanofibers were observed for the second-generation metallodendrimer under the similar conditions. Furthermore, the driven force for the formation of such ordered nanostructures was investigated by using 1H NMR and fluorescence spectroscopy.

A systematic study of peripherally multiple aromatic ester-functionalized poly(benzyl ether) dendrons for the fabrication of organogels: Structure-property relationships and thixotropic property

Feng, Yu,Liu, Zhi-Xiong,Chen, Hui,Yan, Zhi-Chao,He, Yan-Mei,Liu, Chen-Yang,Fan, Qing-Hua

supporting information, p. 7069 - 7082 (2014/06/09)

A new class of peripherally multiple aromatic ester-functionalized poly(benzyl ether) dendrons and/or dendrimers with different focal point substituents, surface groups, interior structures, as well as different generations have been synthesized and their structure-property relationships with respect to their gelation ability have been investigated systematically. Most of these dendrons are able to gel organic solvents over a wide polarity range. Evident dendritic effects were observed not only in gelation capability but also in thermotropic, morphological, and rheological characterizations. It was disclosed that subtle changes in peripheral ester functionalities and interior dendritic structures affected the gelation behavior of the dendrons significantly. Among all the dendrons studied, the second- and third-generation dendrons G0G2-Me and G0G3-Me with dimethyl isophthalates (DMIP) as peripheral groups exhibited the best capability in gelation, and stable gels were formed in more than 22 aromatic and polar organic solvents. The lowest critical gelation concentration (CGC) reached 2.0 mg mL-1, indicating that approximately 1.35×104 solvent molecules could be entrapped by one dendritic molecule. Further study on driving forces in gel formation was carried out by using a combination of single-crystal/powder X-ray diffraction (XRD) analysis and concentration- dependent (CD)/temperature-dependent (TD) 1H NMR spectroscopy. The results obtained from these experiments revealed that the multiple π-π stacking of extended π-systems due to the peripheral DMIP rings, cooperatively assisted by non-conventional hydrogen-bonding, is the key contributor in the formation of the highly ordered supramolecular and fibrillar network. In addition, these dendritic organogels exhibited unexpected thixotropic-responsive properties, which make them promising candidates with potential applications in the field of intelligent soft materials. s

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

supporting information, p. 10735 - 10737 (2013/10/22)

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.

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