Cas no 113457-37-7 (4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid)

4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid is a brominated aromatic compound featuring a benzoic acid core substituted with a 4-bromobenzyloxy group at the 4-position and a methoxy group at the 3-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The bromine substituent enhances its utility in cross-coupling reactions, such as Suzuki or Heck couplings, while the carboxylic acid functionality allows for further derivatization. Its well-defined crystalline form ensures high purity and stability, facilitating precise use in research and industrial processes. The compound’s balanced lipophilicity and electronic properties contribute to its versatility in medicinal chemistry and material science.

4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid structure

113457-37-7 structure

Product Name:4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid

CAS No:113457-37-7

MF:C₁₅H₁₃BrO₄

MW:337.165323972702

MDL:MFCD06260716

CID:1201456

PubChem ID:5230282

Update Time:2025-06-14

4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid Chemical and Physical Properties

Names and Identifiers

- 4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid
- 4-[(4-bromophenyl)methoxy]-3-methoxybenzoic acid
- 4-[(4-bromophenyl)methoxy]-3-methoxy-benzoic acid
- 113457-37-7
- 4-((4-Bromobenzyl)oxy)-3-methoxybenzoicacid
- CS-0248732
- G32152
- BBL034936
- VS-12763
- MFCD06260716
- Z227744088
- AKOS000191623
- EN300-41195
- ALBB-008972
- STK501014
- 4-((4-Bromobenzyl)oxy)-3-methoxybenzoic acid
- 4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid
- MDL： MFCD06260716
- Inchi： 1S/C15H13BrO4/c1-19-14-8-11(15(17)18)4-7-13(14)20-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3,(H,17,18)
- InChI Key： GATMQUPWPCOCMJ-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)COC1C=CC(C(=O)O)=CC=1OC

Computed Properties

Exact Mass: 335.99969
Monoisotopic Mass: 335.99972g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 20
Rotatable Bond Count: 5
Complexity: 315
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.8
Topological Polar Surface Area: 55.8?2

Experimental Properties

PSA: 55.76

4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid Security Information

HazardClass：IRRITANT

4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Matrix Scientific	040004-500mg	4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid	113457-37-7		500mg	$126.00	2023-09-11
Enamine	EN300-41195-0.05g	4-[(4-bromophenyl)methoxy]-3-methoxybenzoic acid	113457-37-7	95%	0.05g	$39.0	2023-06-15
Enamine	EN300-41195-0.1g	4-[(4-bromophenyl)methoxy]-3-methoxybenzoic acid	113457-37-7	95%	0.1g	$58.0	2023-06-15
Enamine	EN300-41195-0.25g	4-[(4-bromophenyl)methoxy]-3-methoxybenzoic acid	113457-37-7	95%	0.25g	$82.0	2023-06-15
Enamine	EN300-41195-0.5g	4-[(4-bromophenyl)methoxy]-3-methoxybenzoic acid	113457-37-7	95%	0.5g	$129.0	2023-06-15
Enamine	EN300-41195-1.0g	4-[(4-bromophenyl)methoxy]-3-methoxybenzoic acid	113457-37-7	95%	1g	$166.0	2023-06-15
Enamine	EN300-41195-2.5g	4-[(4-bromophenyl)methoxy]-3-methoxybenzoic acid	113457-37-7	95%	2.5g	$320.0	2023-06-15
Enamine	EN300-41195-5.0g	4-[(4-bromophenyl)methoxy]-3-methoxybenzoic acid	113457-37-7	95%	5g	$577.0	2023-06-15
Enamine	EN300-41195-10.0g	4-[(4-bromophenyl)methoxy]-3-methoxybenzoic acid	113457-37-7	95%	10g	$986.0	2023-06-15
Aaron	AR0091I7-50mg	4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid	113457-37-7	95%	50mg	$79.00	2025-03-20

4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid Suppliers

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(CAS:113457-37-7)4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid

Order Number:A1232894

Stock Status:in Stock

Quantity:5g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 22:43

Price ($):405

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Related Categories

Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Methoxybenzoic acids and derivatives

Additional information on 4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid

Comprehensive Overview of 4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid (CAS No. 113457-37-7)

4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid (CAS No. 113457-37-7) is a specialized organic compound widely recognized in pharmaceutical and chemical research. This compound, featuring a 4-bromobenzyl ether linkage and a methoxybenzoic acid moiety, is pivotal in the synthesis of bioactive molecules. Its unique structure makes it a valuable intermediate for developing drug candidates, particularly in targeting inflammation and metabolic disorders, which are currently trending topics in biomedical research.

The growing interest in 4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid is driven by its potential applications in medicinal chemistry. Researchers are exploring its role as a building block for designing novel enzyme inhibitors, a hot topic in drug discovery. With the rise of AI-driven drug design, this compound has garnered attention for its compatibility with computational modeling tools, addressing frequent queries like "how to optimize benzoic acid derivatives for drug development."

From a synthetic perspective, CAS No. 113457-37-7 is often discussed in forums focusing on organic synthesis optimization. Its bromobenzyl group offers reactivity for cross-coupling reactions, aligning with the surge in interest around palladium-catalyzed transformations. This aspect answers common search terms such as "efficient bromoarene derivatives for Suzuki-Miyaura coupling."

Environmental and green chemistry trends also highlight 4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid as a subject of solvent-free synthesis studies. As sustainability becomes a priority, researchers frequently ask, "how to reduce waste in benzoic acid derivative production?"—making this compound a case study for eco-friendly protocols.

Analytical characterization of 113457-37-7 involves advanced techniques like HPLC and NMR, which dominate search queries related to "purity analysis of aromatic carboxylic acids." Its methoxy and carboxylic acid functionalities allow for versatile derivatization, catering to demands for highly functionalized intermediates in custom synthesis.

In summary, 4-[(4-bromobenzyl)oxy]-3-methoxybenzoic Acid bridges multiple scientific frontiers—from drug discovery to sustainable chemistry. Its relevance to trending topics like precision medicine and catalysis innovation ensures its continued prominence in both academic and industrial settings.

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