Cas no 111128-12-2 (2-4-(Bromomethyl)phenylpropionic Acid)

2-(4-(Bromomethyl)phenyl)propionic acid is a brominated aromatic carboxylic acid derivative with applications in organic synthesis and pharmaceutical intermediates. Its key structural features include a reactive bromomethyl group and a propionic acid moiety, enabling versatile functionalization for cross-coupling reactions, esterification, or amidation. The compound is particularly useful in the preparation of biologically active molecules due to its ability to serve as a building block for more complex structures. Its crystalline form and well-defined reactivity profile make it suitable for controlled synthetic transformations. Proper handling is advised due to the potential lachrymatory effects of the bromomethyl group. Storage under inert conditions is recommended to maintain stability.
2-4-(Bromomethyl)phenylpropionic Acid structure
111128-12-2 structure
Product Name:2-4-(Bromomethyl)phenylpropionic Acid
CAS No:111128-12-2
MF:C10H11BrO2
MW:243.097142457962
MDL:MFCD02093445
CID:62862
PubChem ID:2733978
Update Time:2025-11-04

2-4-(Bromomethyl)phenylpropionic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-(Bromomethyl)phenyl)propanoic acid
    • p-Bromomethylphenylpropionic acid
    • 4-(BROMOMETHYL)HYDRATROPIC ACID
    • 2-[4-(BROMOMETHYL)PHENYL]PROPANOIC ACID
    • 2-[4-(BROMOMETHYL)PHENYL]PROPIONIC ACID
    • 2-[(P-BROMOMETHYL)PHENYL]PROPIONIC ACID BMPPA
    • 2-[4-(Bromomethyl)phenyl]propinic acid
    • Loxoprofen Intermediate
    • 2-((4-Bromomethyl)phenyl)propanic acid
    • 2-(4-bromomethylphenyl)propionic acid (intermediate of loxoprofen)
    • 2-[4-(bromomethyl)phenyl]propanoic acid (intermediate of loxoprofen)
    • 2-[(P-bromomethyl)phenyl] propionic acid
    • PBA
    • 2-(4-Bromomethyl)phenylpropionic acid
    • Of different acrylic acid Methyl broMide
    • 2-(2-CHLOROPHENYL)-2-OXOETHYL THIOCYANATE
    • BMPPA
    • 2-(4-Bromomethylphenyl)propionic acid
    • 2-[p-(Bromomethyl)phenyl]propionicacid
    • Benzeneacetic acid,4-(bromomethyl)-a-methyl-
    • OfdifferentacrylicacidMethylbroMide
    • 2-4-(Bromomethyl)phenylpropionic Acid
    • AC-30317
    • CS-W012755
    • Loxoprofen Impurity 28
    • SCHEMBL346789
    • DTXSID10370064
    • 2-[4-(Bromomethyl)phenyl]propionic acid, 96%
    • EN300-157261
    • BCP12222
    • FT-0642719
    • A802297
    • (R)-2-BENZYL-5-PENTENOICACID
    • 111128-12-2
    • 2-[(4-Bromomethyl)phenyl)]propionic Acid
    • MFCD02093445
    • AKOS015889848
    • 4-(1-Carboxyethyl)benzyl bromide
    • 2-(4-bromomethylphenyl)-proprionic acid
    • QQXBRVQJMKBAOZ-UHFFFAOYSA-N
    • GS-3022
    • Q-100065
    • B2101
    • 2-(4-Bromomethyl-phenyl)-propionic acid
    • 2-(4-Boromomethyl phenyl)propionic Acid,99%
    • STL557224
    • 2-(4-(Bromomethyl)phenyl)propanoicacid
    • BBL103414
    • 4-(Bromomethyl)-alpha-methylbenzeneacetic Acid; 2-[4-(Bromomethyl)phenyl]propanoic Acid; 2-[p-(Bromomethyl)phenyl]propionic Acid
    • DB-040954
    • MDL: MFCD02093445
    • Inchi: 1S/C10H11BrO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
    • InChI Key: QQXBRVQJMKBAOZ-UHFFFAOYSA-N
    • SMILES: BrCC1C=CC(=CC=1)C(C(=O)O)C

Computed Properties

  • Exact Mass: 241.99400
  • Monoisotopic Mass: 241.994
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 174
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 37.3A^2

Experimental Properties

  • Color/Form: Beige or cream crystalline powder
  • Density: 1.4557 (rough estimate)
  • Melting Point: 125.0 to 131.0 deg-C
  • Boiling Point: 148°C (rough estimate)
  • Flash Point: 162°C
  • Refractive Index: 1.5220 (estimate)
  • PSA: 37.30000
  • LogP: 2.76960
  • Solubility: Not determined

2-4-(Bromomethyl)phenylpropionic Acid Security Information

  • Symbol: GHS05
  • Prompt:warning
  • Signal Word:Danger
  • Hazard Statement: H314
  • Warning Statement: P280,P305+P351+P338,P310
  • Hazardous Material transportation number:UN 1759 8/PG 2
  • WGK Germany:3
  • Hazard Category Code: 34
  • Safety Instruction: S26-S27-S36/37/39-S45-S37/39
  • Hazardous Material Identification: C
  • Safety Term:S26;S37/39
  • HazardClass:8
  • PackingGroup:II
  • Storage Condition:Store at room temperature
  • Risk Phrases:R36/37/38

2-4-(Bromomethyl)phenylpropionic Acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-4-(Bromomethyl)phenylpropionic Acid Pricemore >>

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2-4-(Bromomethyl)phenylpropionic Acid Production Method

2-4-(Bromomethyl)phenylpropionic Acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:111128-12-2)2-(4-Bromomethyl)phenylpropionic acid
Order Number:sfd7975
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
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(CAS:111128-12-2)2-(4-Bromomethyl)phenylpropionic acid
Order Number:LE7079;LE25841612
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:50
Price ($):discuss personally

2-4-(Bromomethyl)phenylpropionic Acid Spectrogram

13C NMR
13C NMR
1H NMR 300 MHz DMSO
1H NMR

2-4-(Bromomethyl)phenylpropionic Acid Related Literature

Additional information on 2-4-(Bromomethyl)phenylpropionic Acid

Professional Introduction to 2-4-(Bromomethyl)phenylpropionic Acid (CAS No. 111128-12-2)

2-4-(Bromomethyl)phenylpropionic Acid, identified by the Chemical Abstracts Service Number (CAS No.) 111128-12-2, is a versatile organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound, characterized by its bromomethyl functional group and phenylpropionic acid backbone, serves as a crucial intermediate in the synthesis of various biologically active molecules. Its unique structural features make it particularly valuable for the development of novel therapeutic agents, particularly in the realm of drug discovery and medicinal chemistry.

The bromomethyl group in 2-4-(Bromomethyl)phenylpropionic Acid is a highly reactive moiety that facilitates nucleophilic substitution reactions, enabling the facile introduction of diverse functional groups. This reactivity has been leveraged in synthetic protocols to construct complex molecular architectures, including heterocyclic compounds and peptidomimetics. The phenylpropionic acid moiety, on the other hand, contributes to the compound's solubility and metabolic stability, making it an attractive candidate for further derivatization.

In recent years, 2-4-(Bromomethyl)phenylpropionic Acid has been extensively studied for its potential applications in the development of anti-inflammatory and analgesic agents. Researchers have demonstrated its utility in synthesizing nonsteroidal anti-inflammatory drugs (NSAIDs) with enhanced efficacy and reduced side effects. The bromomethyl group allows for selective functionalization, enabling the introduction of pharmacophores that modulate inflammatory pathways. Preliminary studies have shown promising results in preclinical models, suggesting its therapeutic potential.

Moreover, 2-4-(Bromomethyl)phenylpropionic Acid has found applications in the synthesis of protease inhibitors, which are critical for treating various diseases, including cancer and viral infections. The phenylpropionic acid backbone provides a stable scaffold for designing molecules that can inhibit specific proteases involved in disease progression. By leveraging the reactivity of the bromomethyl group, researchers have been able to develop potent inhibitors with high selectivity and affinity.

The compound's versatility extends to its role in material science and polymer chemistry. The bromomethyl group can be used to introduce cross-linking agents, enhancing the mechanical properties of polymers. Additionally, 2-4-(Bromomethyl)phenylpropionic Acid has been explored as a monomer in the synthesis of novel polymers with tailored properties for applications in coatings, adhesives, and biomedical materials.

Recent advancements in green chemistry have also highlighted the importance of 2-4-(Bromomethyl)phenylpropionic Acid as a sustainable building block. Researchers have developed environmentally friendly synthetic routes that minimize waste and reduce energy consumption. These methods align with the growing emphasis on sustainable practices in pharmaceutical manufacturing and chemical synthesis.

The pharmacological profile of 2-4-(Bromomethyl)phenylpropionic Acid continues to be an area of active investigation. Studies have revealed its potential as a precursor for neuroprotective agents, which are essential for treating neurodegenerative diseases such as Alzheimer's and Parkinson's. The compound's ability to undergo selective functionalization has allowed researchers to design molecules that target specific neurotransmitter systems, offering new avenues for therapeutic intervention.

In conclusion, 2-4-(Bromomethyl)phenylpropionic Acid (CAS No. 111128-12-2) is a multifaceted compound with significant implications across multiple domains of chemistry and medicine. Its unique structural features and reactivity make it an invaluable tool for synthetic chemists and pharmaceutical researchers alike. As our understanding of its properties continues to evolve, so too will its applications in drug discovery, material science, and sustainable chemistry.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:111128-12-2)2-(4-Bromomethyl)phenylpropionic acid
sfd7975
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:111128-12-2)2-(4-Bromomethyl)phenylpropionic acid
LE7079;LE25841612
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
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