Cas no 33500-88-8 (1-bromo-2-methoxy-4,5-dimethylbenzene)

1-Bromo-2-methoxy-4,5-dimethylbenzene is a substituted aromatic compound featuring bromine and methoxy functional groups on a benzene ring with additional methyl substituents at the 4 and 5 positions. This structure makes it a valuable intermediate in organic synthesis, particularly for pharmaceuticals, agrochemicals, and specialty chemicals. The bromine atom provides a reactive site for further functionalization via cross-coupling reactions (e.g., Suzuki or Heck reactions), while the methoxy and methyl groups influence electronic and steric properties, enhancing selectivity in synthetic pathways. Its stability and well-defined reactivity profile make it suitable for controlled modifications in complex molecular architectures. The compound is typically handled under standard inert conditions due to its sensitivity to light and moisture.
1-bromo-2-methoxy-4,5-dimethylbenzene structure
33500-88-8 structure
Product Name:1-bromo-2-methoxy-4,5-dimethylbenzene
CAS No:33500-88-8
MF:C9H11BrO
MW:215.087042093277
MDL:MFCD16309015
CID:1465166
PubChem ID:12617740
Update Time:2025-10-18

1-bromo-2-methoxy-4,5-dimethylbenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-bromo-2-methoxy-4,5-dimethyl-
    • 1-Bromo-2-methoxy-4,5-dimethylbenzene
    • E80379
    • 33500-88-8
    • MFCD16309015
    • NETNPXCTGLWDJK-UHFFFAOYSA-N
    • CS-0194209
    • SCHEMBL2862226
    • DB-162348
    • AB91666
    • EN300-1910238
    • DTXSID80504511
    • 1-bromo-2-methoxy-4,5-dimethylbenzene
    • MDL: MFCD16309015
    • Inchi: 1S/C9H11BrO/c1-6-4-8(10)9(11-3)5-7(6)2/h4-5H,1-3H3
    • InChI Key: NETNPXCTGLWDJK-UHFFFAOYSA-N
    • SMILES: BrC1C(=CC(C)=C(C)C=1)OC

Computed Properties

  • Exact Mass: 213.99933
  • Monoisotopic Mass: 213.99933g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 127
  • 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: 3.3
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

1-bromo-2-methoxy-4,5-dimethylbenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A010007599-250mg
2-Bromo-4,5-dimethylanisole
33500-88-8 97%
250mg
$494.40 2023-09-02
Alichem
A010007599-500mg
2-Bromo-4,5-dimethylanisole
33500-88-8 97%
500mg
$831.30 2023-09-02
Alichem
A010007599-1g
2-Bromo-4,5-dimethylanisole
33500-88-8 97%
1g
$1534.70 2023-09-02
abcr
AB517108-250 mg
1-Bromo-2-methoxy-4,5-dimethylbenzene; .
33500-88-8
250MG
€166.10 2023-07-10
abcr
AB517108-1 g
1-Bromo-2-methoxy-4,5-dimethylbenzene; .
33500-88-8
1g
€341.00 2023-07-10
abcr
AB517108-5 g
1-Bromo-2-methoxy-4,5-dimethylbenzene; .
33500-88-8
5g
€1,093.00 2023-07-10
Advanced ChemBlocks
N27766-1G
1-Bromo-2-methoxy-4,5-dimethylbenzene
33500-88-8 95%
1G
$190 2023-09-15
Advanced ChemBlocks
N27766-5G
1-Bromo-2-methoxy-4,5-dimethylbenzene
33500-88-8 95%
5G
$685 2023-09-15
Advanced ChemBlocks
N27766-25G
1-Bromo-2-methoxy-4,5-dimethylbenzene
33500-88-8 95%
25G
$2,300 2023-09-15
abcr
AB517108-250mg
1-Bromo-2-methoxy-4,5-dimethylbenzene; .
33500-88-8
250mg
€174.80 2025-03-19

Additional information on 1-bromo-2-methoxy-4,5-dimethylbenzene

1-Bromo-2-Methoxy-4,5-Dimethylbenzene: A Comprehensive Overview

1-Bromo-2-Methoxy-4,5-Dimethylbenzene (CAS No. 33500-88-8) is a versatile aromatic compound with a unique substitution pattern on the benzene ring. This compound has garnered significant attention in recent years due to its potential applications in various fields, including organic synthesis, material science, and pharmacology. The molecule consists of a bromine atom at position 1, a methoxy group at position 2, and two methyl groups at positions 4 and 5 on the benzene ring. This specific arrangement of substituents imparts distinct chemical properties that make it valuable for both academic and industrial purposes.

The synthesis of 1-bromo-2-methoxy-4,5-dimethylbenzene has been extensively studied. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly routes for its production. For instance, researchers have explored the use of palladium-catalyzed cross-coupling reactions to construct the desired substitution pattern. These methods not only improve yield but also reduce the environmental footprint compared to traditional bromination techniques.

One of the most notable applications of 1-bromo-2-methoxy-4,5-dimethylbenzene is in the field of organic synthesis as an intermediate for constructing complex aromatic molecules. Its bromine atom serves as an excellent leaving group, facilitating nucleophilic aromatic substitution reactions. This property has been exploited in the synthesis of various biologically active compounds, including pharmaceutical agents and agrochemicals.

Recent studies have also highlighted the potential of 1-bromo-2-methoxy-4,5-dimethylbenzene in materials science. For example, derivatives of this compound have been investigated as precursors for advanced materials such as conductive polymers and organic semiconductors. The methyl groups at positions 4 and 5 contribute to the molecule's stability and electronic properties, making it a promising candidate for these applications.

In terms of pharmacology, 1-bromo-2-methoxy-4,5-dimethylbenzene has shown potential as a lead compound for drug discovery. Its substitution pattern allows for fine-tuning of pharmacokinetic properties such as solubility and bioavailability. Researchers have explored its role in inhibiting key enzymes involved in metabolic pathways, offering new avenues for therapeutic development.

The toxicological profile of 1-bromo-2-methoxy-4,5-dimethylbenzene has also been a subject of recent research. Studies indicate that while the compound exhibits moderate toxicity in acute exposure scenarios, its chronic effects require further investigation. Regulatory bodies are closely monitoring its use to ensure compliance with safety standards.

Looking ahead, the demand for 1-bromo-2-methoxy-4,5-dimethylbenzene is expected to grow due to its versatility and expanding range of applications. Ongoing research is focused on optimizing its synthesis pathways and exploring novel uses in emerging fields such as green chemistry and sustainable materials development.

Recommended suppliers
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech 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
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited