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Methyl-(4-bromophenoxy)acetate is a chemical compound that belongs to the class of organic compounds known as phenol esters. It is derived from the reaction between bromophenol and acetic acid with the addition of a methyl group. Methyl-(4-bromophenoxy)acetate has a molecular formula of C9H9BrO3 and a molecular weight of 243.07 g/mol. It is known for its mild, sweet, and slightly floral odor.

4841-23-0

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4841-23-0 Usage

Uses

Used in Pharmaceutical Industry:
Methyl-(4-bromophenoxy)acetate is used as an intermediate in the synthesis of pharmaceuticals for its ability to react and form various medicinal compounds.
Used in Agrochemical Industry:
Methyl-(4-bromophenoxy)acetate is used as an intermediate in the synthesis of agrochemicals to help create effective products for agricultural applications.
Used in Organic Compounds Synthesis:
Methyl-(4-bromophenoxy)acetate is used as an intermediate in the synthesis of various organic compounds due to its reactive nature and potential to form different chemical structures.
Used in Cosmetic and Personal Care Products:
Methyl-(4-bromophenoxy)acetate is used as a fragrance ingredient in various cosmetic and personal care products for its mild, sweet, and slightly floral odor.
Note: The potential environmental and health hazards associated with Methyl-(4-bromophenoxy)acetate should be taken into consideration, and caution should be exercised in handling and using it.

Check Digit Verification of cas no

The CAS Registry Mumber 4841-23-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,8,4 and 1 respectively; the second part has 2 digits, 2 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 4841-23:
(6*4)+(5*8)+(4*4)+(3*1)+(2*2)+(1*3)=90
90 % 10 = 0
So 4841-23-0 is a valid CAS Registry Number.

4841-23-0SDS

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 (4-bromophenoxy)acetic acid methyl ester

1.2 Other means of identification

Product number -
Other names METHYL-(4-BROMOPHENOXY)ACETATE_X000D_

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:4841-23-0 SDS

4841-23-0Relevant academic research and scientific papers

Discovery of carboxyl-containing biaryl ureas as potent RORγt inverse agonists

Sun, Nannan,Huang, Yafei,Yu, Mingcheng,Zhao, Yunpeng,Chen, Ji-An,Zhu, Chenyu,Song, Meiqi,Guo, Huimin,Xie, Qiong,Wang, Yonghui

, (2020/07/21)

GSK805 (1) is a potent RORγt inverse agonist, but a drawback of 1 is its low solubility, leading to a limited absorption in high doses. We have explored detailed structure-activity relationship on the amide linker, biaryl and arylsulfonyl moieties of 1 trying to improve solubility while maintaining RORγt activity. As a result, a novel series of carboxyl-containing biaryl urea derivatives was discovered as potent RORγt inverse agonists with improved drug-like properties. Compound 3i showed potent RORγt inhibitory activity and subtype selectivity with an IC50 of 63.8 nM in RORγ FRET assay and 85 nM in cell-based RORγ-GAL4 promotor reporter assay. Reasonable inhibitory activity of 3i was also achieved in mouse Th17 cell differentiation assay (76percent inhibition at 0.3 μM). Moreover, 3i had greatly improved aqueous solubility at pH 7.4 compared to 1, exhibited decent mouse PK profile and demonstrated some in vivo efficacy in an imiquimod-induced psoriasis mice model.

Synthesis and antibacterial evaluation of new sulfone derivatives containing 2-aroxymethyl-1,3,4-oxadiazole/thiadiazole moiety

Su, Shihu,Zhou, Xia,Liao, Guoping,Qi, Puying,Jin, Linhong

, (2017/01/24)

Sulfones are one of the most important classes of agricultural fungicides. To discover new lead compounds with high antibacterial activity, a series of new sulfone derivatives were designed and synthesized by introducing the aroxymethyl moiety into the scaffold of 1,3,4-oxadiazole/thiadiazole sulfones. Antibacterial activities against three phytopathogens (Xanthomonas oryzae pv. oryzae, Ralstonia solanacearum, Xanthomonas axonopodis pv. citri.) were assayed in vitro. As compared to the control of commercial fungicides and some reported sulfone fungicides, seven compounds 5I-1-5I-7 exerted remarkably higher activities with EC50 values ranging from 0.45-1.86 μg/mL against X. oryzae and 1.97-20.15 μg/mL against R. solanacearum. Exhilaratingly, 5I-1, 5I-2 and 5I-4 displayed significant in vivo activity against X. oryzae with protective effect of 90.4%, 77.7%, and 81.1% at 200 μg/mL, respectively, much higher than that exhibited by Bismerthiazol (25.6%) and Thiadiazole-copper (32.0%). And the differential phytotoxicity of active derivatives was preliminarily checked. The results demonstrated that derivative of 2-aroxymethyl-1,3,4-oxadiazole/thiadiazole sulfone can serve as potential alternative bactericides for the management of plant bacterial diseases.

New Approach to 1,4-Benzoxazin-3-ones by Electrochemical C?H Amination

Wesenberg, Lars Julian,Herold, Sebastian,Shimizu, Akihiro,Yoshida, Jun-Ichi,Waldvogel, Siegfried R.

supporting information, p. 12096 - 12099 (2017/09/13)

1,4-Benzoxazin-3-ones are important structural motifs in natural products and bioactive compounds. Usually, the synthesis of benzoxazinones requires transition-metal catalysts and pre-functionalized substrates such as aryl halides. However, the anodic C?H

Synthesis and molecular structures of 1-hydroxyethyl-2-(p-substituted) phenoxymethyl benzimidazoles

Wu, Jiacheng,Zhao, Li,Zhao, Changqing,Wang, Zhiyuan,Gu, Haibin,Chen, Wuyong

, p. 974 - 980 (2016/11/22)

Five novel 1-hydroxyethyl-2-(p-substituted) phenoxymethyl benzimidazoles were synthesized by a three-step route. Under microwave irradiation, the p-substituted phenols were firstly O-carboxymethylated to prepare the corresponding p-substituted phenoxymethyl acids, which then reacted with o-phenylendiamine to get the key intermediates 2-(p-substituted) phenoxymethyl benzimidazole. Finally, the solid-liquid phase transfer catalysis method, where tetrabutyl ammonium bromide (TBAB) was used as the catalyst, was applied to synthesize the target compounds c1-c5 by the N-hydroxyethylation reaction with 2-chloroethyl alcohol. The structures of the obtained compounds were well characterized and confirmed by elemental analysis, MS, IR, 1H NMR, 13C NMR and single-crystal X-ray diffraction analysis.

NOVEL WATER-SOLUBLE COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES

-

Paragraph 0159, (2015/12/30)

The invention relates to complexing agents of formula (I): in which A, chrom1, chrom2 and chrom3 are as defined in the description. The invention also relates to the lanthanide complexes obtained from these complexing agents.

In silico and pharmacological screenings identify novel serine racemase inhibitors

Mori, Hisashi,Wada, Ryogo,Li, Jie,Ishimoto, Tetsuya,Mizuguchi, Mineyuki,Obita, Takayuki,Gouda, Hiroaki,Hirono, Shuichi,Toyooka, Naoki

supporting information, p. 3732 - 3735 (2014/09/03)

d-Serine is a coagonist of the N-methyl-d-aspartate (NMDA)-type glutamate receptor and its biosynthesis is catalyzed by serine racemase (SR). The overactivation of the NMDA receptor has been implicated in the development of neurodegenerative diseases, strokes, and epileptic seizures, thus, the inhibitors of SR have potential against these pathological states. Here, we have developed novel inhibitors of SR by in silico screening and in vitro enzyme assay. The newly developed inhibitors have lower IC50 value comparing with that of malonate, one of the standard SR inhibitor. The structural features of novel inhibitors suggest the importance of central amide structure having a phenoxy substituent in their structure for the SR inhibitory activity. The present findings suggest the importance and rational development of new drugs for diseases of NMDAR overactivation.

Antibacterial and antitubercular activities of some diphenyl hydrazones and semicarbazones

Raja,Agarwal,Mahajan,Pandeya,Ananthan

scheme or table, p. 1384 - 1388 (2011/01/13)

Condensation of phenoxy or 4-bromophenoxy acetic acid hydrazide and substituted aryl semicarbazides with appropriate carbonyl compounds yield corresponding hydrazones and semicarbazones, respectively. The chemical structure of the synthesized compounds has been confirmed by UV, IR and 'H NMR spectral data. All the compounds have been investigated for their antibacterial activity against ten pathogenic strains and antitubercular activity against Mycobacterium tuberculosis H37 Rv. Compound 4f, Acetic acid, phenoxy-,[l-(4-chlorophenyl) ethylidene] hydrazide has been found to exhibit 80% inhibition in the preliminary antitubercular screening (MIC >6.25 |ig/mL).

Synthesis of Aryloxyacetic Acids, Esters, and Hydrazides Assisted by Microwave Irradiation

Hamid, Hamida M. Abdel,Ramadan, El Sayed,Hagar, Mohamed,El Ashry, El Sayed H.

, p. 377 - 382 (2007/10/03)

Under microwave irradiation on clay a series of transformations of a number of phenols into their aryloxyacetic acids 3 and then their methyl esters 4 and hydrazides 5 has been achieved efficiently in good yields.

Applicability of Hammett Equation to the Kinetics of Acid-catalysed Esterification of meta- and para-Substituted Phenoxyacetic Acids by Methanol

Baliah, V.,Gurumurthy, R.

, p. 629 - 631 (2007/10/02)

Rate constants have been determined for the acid-catalysed esterification of meta- and para-substituted phenoxyacetic acids by methanol, with hydrogen chloride as catalyst.The applicability of the Hammett equation to the rate data has been examined.The para-substituted benzoic acids react slower than the corresponding para-substituted phenoxyacetic acids.The probable cause of this behaviour is discussed.

Influence of meta- and para-Substituents on the Kinetics of Esterification of Phenoxyacetic Acids by Methanol

Baliah, V.,Gurumurthy, R.

, p. 1082 - 1083 (2007/10/02)

The influence of meta- and para- substituents on the kinetics of acid-catalysed esterification of phenoxyacetic acids is discussed.In the case of para Cl, Br and I substituents, d-orbital resonance is suggested to explain the observed behaviour.The possibility of protonation of the methoxy oxygen in the acid medium employed is indicated to explain the slower rate of reaction of m- and p-methoxyphenoxyacetic acids.

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