Cas no 1437780-03-4 (Methyl 6-bromo-2-fluoro-3-methylbenzoate)

Methyl 6-bromo-2-fluoro-3-methylbenzoate is a fluorinated and brominated aromatic ester with applications in pharmaceutical and agrochemical synthesis. Its key structural features—a bromo substituent at the 6-position, a fluoro group at the 2-position, and a methyl ester at the 1-position—make it a versatile intermediate for further functionalization, such as cross-coupling reactions or nucleophilic substitutions. The presence of both electron-withdrawing (bromo, fluoro) and electron-donating (methyl) groups enhances its reactivity in regioselective transformations. This compound is particularly valuable in medicinal chemistry for the development of bioactive molecules due to its ability to modulate electronic and steric properties in target structures. High purity and stability ensure consistent performance in synthetic applications.
Methyl 6-bromo-2-fluoro-3-methylbenzoate structure
1437780-03-4 structure
Product Name:Methyl 6-bromo-2-fluoro-3-methylbenzoate
CAS No:1437780-03-4
MF:C9H8BrFO2
MW:247.0610
MDL:MFCD24848718
CID:4555354
PubChem ID:74890487
Update Time:2025-05-19

Methyl 6-bromo-2-fluoro-3-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 6-bromo-2-fluoro-3-methylbenzoate
    • Z1599
    • Methyl6-bromo-2-fluoro-3-methylbenzoate
    • SY102991
    • Methyl 6-bromo-2-fluoro-3-methyl-benzoate
    • 1437780-03-4
    • CS-16273
    • MFCD24848718
    • CS-0094509
    • SCHEMBL14956284
    • AKOS023100566
    • MDL: MFCD24848718
    • Inchi: 1S/C9H8BrFO2/c1-5-3-4-6(10)7(8(5)11)9(12)13-2/h3-4H,1-2H3
    • InChI Key: AHFHGHNOEORYLM-UHFFFAOYSA-N
    • SMILES: BrC1C([H])=C([H])C(C([H])([H])[H])=C(C=1C(=O)OC([H])([H])[H])F

Computed Properties

  • Exact Mass: 245.96917g/mol
  • Monoisotopic Mass: 245.96917g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 198
  • 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
  • Topological Polar Surface Area: 26.3
  • XLogP3: 2.9

Methyl 6-bromo-2-fluoro-3-methylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM321554-1g
Methyl 6-bromo-2-fluoro-3-methylbenzoate
1437780-03-4 95%
1g
$277 2021-06-16
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-BG637-200mg
Methyl 6-bromo-2-fluoro-3-methylbenzoate
1437780-03-4 95+%
200mg
267.0CNY 2021-07-15
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-BG637-1g
Methyl 6-bromo-2-fluoro-3-methylbenzoate
1437780-03-4 95+%
1g
944.0CNY 2021-07-15
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-BG637-50mg
Methyl 6-bromo-2-fluoro-3-methylbenzoate
1437780-03-4 95+%
50mg
119.0CNY 2021-07-15
TRC
M296595-50mg
Methyl 6-Bromo-2-fluoro-3-methylbenzoate
1437780-03-4
50mg
$ 50.00 2022-06-04
TRC
M296595-100mg
Methyl 6-Bromo-2-fluoro-3-methylbenzoate
1437780-03-4
100mg
$ 65.00 2022-06-04
TRC
M296595-500mg
Methyl 6-Bromo-2-fluoro-3-methylbenzoate
1437780-03-4
500mg
$ 135.00 2022-06-04
Apollo Scientific
PC540039-250mg
Methyl 6-bromo-2-fluoro-3-methylbenzoate
1437780-03-4 >97%
250mg
£15.00 2025-02-21
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
M88700-1g
Methyl 6-bromo-2-fluoro-3-methylbenzoate
1437780-03-4
1g
¥746.0 2021-09-08
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
M88700-250mg
Methyl 6-bromo-2-fluoro-3-methylbenzoate
1437780-03-4
250mg
¥296.0 2021-09-08

Additional information on Methyl 6-bromo-2-fluoro-3-methylbenzoate

Methyl 6-bromo-2-fluoro-3-methylbenzoate (CAS No. 1437780-03-4): A Versatile Intermediate for Pharmaceutical and Agrochemical Applications

Methyl 6-bromo-2-fluoro-3-methylbenzoate (CAS No. 1437780-03-4) is a highly valuable aromatic ester compound that has gained significant attention in recent years due to its versatile applications in pharmaceutical synthesis and agrochemical development. This fluorinated benzoate derivative serves as a crucial building block for the preparation of various biologically active molecules, making it an essential component in modern organic chemistry research and industrial applications.

The molecular structure of Methyl 6-bromo-2-fluoro-3-methylbenzoate features three strategically positioned substituents: a bromine atom at the 6-position, a fluorine atom at the 2-position, and a methyl group at the 3-position of the benzene ring. This unique arrangement of functional groups makes it particularly valuable for Suzuki coupling reactions and other transition metal-catalyzed cross-coupling processes, which are fundamental to contemporary drug discovery programs.

Recent trends in pharmaceutical research have shown increased demand for fluorinated compounds like Methyl 6-bromo-2-fluoro-3-methylbenzoate, as the introduction of fluorine atoms into drug candidates often improves their metabolic stability, bioavailability, and binding affinity to target proteins. This aligns perfectly with current industry focus on developing more effective and longer-lasting medications, particularly in areas such as central nervous system (CNS) drugs and anticancer agents.

In agrochemical applications, Methyl 6-bromo-2-fluoro-3-methylbenzoate serves as a precursor for the synthesis of novel crop protection agents. The presence of both bromine and fluorine atoms in its structure allows for the development of compounds with enhanced pesticidal activity and improved environmental profiles. This is particularly relevant given the growing global demand for sustainable agricultural solutions that can address challenges posed by pesticide resistance and stricter environmental regulations.

The synthesis of Methyl 6-bromo-2-fluoro-3-methylbenzoate typically involves multi-step processes starting from commercially available methyl 2-fluoro-3-methylbenzoate. The bromination step is carefully controlled to achieve selective substitution at the 6-position, which is crucial for maintaining the compound's reactivity profile. Recent advances in green chemistry have led to improved synthetic routes that reduce waste generation and energy consumption during production.

Quality control for Methyl 6-bromo-2-fluoro-3-methylbenzoate involves rigorous analytical techniques including HPLC analysis, GC-MS, and NMR spectroscopy to ensure high purity levels typically exceeding 98%. The compound's stability under various storage conditions has been extensively studied, with recommendations for storage in cool, dry environments away from strong oxidizing agents to maintain optimal shelf life.

Market analysis indicates steady growth in demand for Methyl 6-bromo-2-fluoro-3-methylbenzoate, particularly from pharmaceutical companies engaged in small molecule drug development. The compound's versatility as a synthetic intermediate has made it increasingly popular among contract research organizations (CROs) and academic research institutions working on medicinal chemistry projects.

Recent publications have highlighted innovative applications of Methyl 6-bromo-2-fluoro-3-methylbenzoate in the development of kinase inhibitors and G-protein coupled receptor (GPCR) modulators. These findings have sparked additional interest from the research community, leading to increased patent activity surrounding derivatives of this compound.

From a regulatory perspective, Methyl 6-bromo-2-fluoro-3-methylbenzoate is classified as a standard chemical substance with no special handling requirements beyond basic laboratory safety protocols. This favorable regulatory status contributes to its widespread availability and use across multiple research and industrial settings.

The future outlook for Methyl 6-bromo-2-fluoro-3-methylbenzoate appears promising, with anticipated growth driven by expanding applications in both pharmaceutical and agrochemical sectors. Ongoing research into novel synthetic methodologies and the continuous discovery of new biological activities for its derivatives ensure that this compound will remain an important tool for chemical innovation in the coming years.

For researchers considering working with Methyl 6-bromo-2-fluoro-3-methylbenzoate, it's important to note that proper characterization of reaction products and thorough purification processes are essential to achieve optimal results. The compound's reactivity profile makes it particularly valuable for constructing complex molecular architectures found in many modern therapeutics and agricultural chemicals.

In conclusion, Methyl 6-bromo-2-fluoro-3-methylbenzoate (CAS No. 1437780-03-4) represents a strategically important chemical building block that continues to enable advancements in multiple scientific disciplines. Its unique combination of functional groups and proven utility in diverse synthetic applications ensure its ongoing relevance in chemical research and development.

Recommended suppliers
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.