Cas no 842136-32-7 (Methyl 5-bromo-2-(trifluoromethyl)benzoate)

Methyl 5-bromo-2-(trifluoromethyl)benzoate is a fluorinated aromatic ester with significant utility in organic synthesis and pharmaceutical research. The presence of both bromo and trifluoromethyl substituents on the benzoate scaffold enhances its reactivity, making it a valuable intermediate for cross-coupling reactions, nucleophilic substitutions, and further functionalization. The electron-withdrawing trifluoromethyl group improves stability and influences the compound's electronic properties, while the bromo moiety offers a versatile handle for metal-catalyzed transformations. This compound is particularly useful in the development of agrochemicals, pharmaceuticals, and specialty materials, where precise structural modifications are required. Its high purity and well-defined reactivity profile ensure consistent performance in synthetic applications.
Methyl 5-bromo-2-(trifluoromethyl)benzoate structure
842136-32-7 structure
Product Name:Methyl 5-bromo-2-(trifluoromethyl)benzoate
CAS No:842136-32-7
MF:C9H6BrF3O2
MW:283.041952610016
MDL:MFCD14697999
CID:1026910
Update Time:2025-06-11

Methyl 5-bromo-2-(trifluoromethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-bromo-2-(trifluoromethyl)benzoate
    • Benzoic acid,5-bromo-2-(trifluoromethyl)-,methyl ester
    • METHYL 5-BROMO-2-TRIFLUOROMETHYLBENZOATE
    • Methyl5-bromo-2-(trifluoromethyl)benzoate
    • Methyl 5-bromo-2-(trifluoromethyl)benzoate (ACI)
    • MDL: MFCD14697999
    • Inchi: 1S/C9H6BrF3O2/c1-15-8(14)6-4-5(10)2-3-7(6)9(11,12)13/h2-4H,1H3
    • InChI Key: NAYMMKZHAIWOSK-UHFFFAOYSA-N
    • SMILES: O=C(C1C(C(F)(F)F)=CC=C(Br)C=1)OC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3

Methyl 5-bromo-2-(trifluoromethyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM153813-1g
methyl 5-bromo-2-(trifluoromethyl)benzoate
842136-32-7 95+%
1g
$161 2021-06-17
Chemenu
CM153813-5g
methyl 5-bromo-2-(trifluoromethyl)benzoate
842136-32-7 95+%
5g
$435 2021-06-17
Fluorochem
080297-1g
Methyl 5-Bromo-2-trifluoromethylbenzoate
842136-32-7 95%
1g
£132.00 2022-03-01
Fluorochem
080297-5g
Methyl 5-Bromo-2-trifluoromethylbenzoate
842136-32-7 95%
5g
£394.00 2022-03-01
Fluorochem
080297-25g
Methyl 5-Bromo-2-trifluoromethylbenzoate
842136-32-7 95%
25g
£1379.00 2022-03-01
Apollo Scientific
PC500761-250mg
Methyl 5-bromo-2-(trifluoromethyl)benzoate
842136-32-7 95%
250mg
£65.00 2025-02-21
Apollo Scientific
PC500761-1g
Methyl 5-bromo-2-(trifluoromethyl)benzoate
842136-32-7 95%
1g
£100.00 2025-02-21
Apollo Scientific
PC500761-5g
Methyl 5-bromo-2-(trifluoromethyl)benzoate
842136-32-7 95%
5g
£292.00 2025-02-21
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
M50130-250mg
Methyl 5-bromo-2-(trifluoromethyl)benzoate
842136-32-7
250mg
¥638.0 2021-09-04
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
M50130-50mg
Methyl 5-bromo-2-(trifluoromethyl)benzoate
842136-32-7
50mg
¥218.0 2021-09-04

Additional information on Methyl 5-bromo-2-(trifluoromethyl)benzoate

Recent Advances in the Application of Methyl 5-bromo-2-(trifluoromethyl)benzoate (CAS: 842136-32-7) in Chemical Biology and Pharmaceutical Research

Methyl 5-bromo-2-(trifluoromethyl)benzoate (CAS: 842136-32-7) is a key intermediate in the synthesis of various biologically active compounds, particularly in the development of pharmaceuticals and agrochemicals. Recent studies have highlighted its significance in the construction of trifluoromethyl-substituted aromatic systems, which are known for their enhanced metabolic stability and bioavailability. This research brief aims to summarize the latest findings on the applications and synthetic methodologies involving this compound, providing insights into its role in modern drug discovery and development.

One of the most notable advancements in the use of Methyl 5-bromo-2-(trifluoromethyl)benzoate is its incorporation into the synthesis of novel kinase inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its utility in the preparation of selective inhibitors for tyrosine kinases, which are implicated in various cancers. The trifluoromethyl group was found to significantly enhance the binding affinity of the inhibitors to their target proteins, thereby improving their therapeutic efficacy. This finding underscores the importance of this compound in the design of next-generation anticancer agents.

In addition to its role in kinase inhibitor development, Methyl 5-bromo-2-(trifluoromethyl)benzoate has also been explored as a building block for the synthesis of agrochemicals. A recent report in the journal Bioorganic & Medicinal Chemistry Letters detailed its use in the creation of novel herbicides with improved selectivity and environmental safety. The bromo and trifluoromethyl substituents were critical in modulating the herbicidal activity, offering a promising avenue for the development of sustainable agricultural chemicals.

From a synthetic chemistry perspective, advancements in the catalytic processes involving Methyl 5-bromo-2-(trifluoromethyl)benzoate have been reported. A 2024 study in Advanced Synthesis & Catalysis described a palladium-catalyzed cross-coupling reaction that efficiently functionalizes the bromo group, enabling the rapid assembly of diverse molecular architectures. This methodology has broad applicability in medicinal chemistry, facilitating the expedited discovery of new drug candidates.

In conclusion, Methyl 5-bromo-2-(trifluoromethyl)benzoate (CAS: 842136-32-7) continues to be a versatile and valuable compound in chemical biology and pharmaceutical research. Its applications span from drug discovery to agrochemical development, driven by its unique structural features and reactivity. Future research is expected to further exploit its potential, particularly in the context of targeted therapies and sustainable chemistry. This brief highlights the compound's pivotal role in advancing scientific and industrial innovations, making it a focal point for ongoing and future studies.

Recommended suppliers
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
鉅瀾化工科技(青島)有限公司