Lot numbers can be found on the outside label of a product:
1-(4-Bromo-2-methoxyphenyl)ethanone
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CAS No. 89368-12-7
- Cat. No. CS-W019337
- Purity≥97%
- MDL No.MFCD11848490
*For research and further manufacturing use only, not for direct human use.
Structure of 89368-12-7
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General Information
- CAS No. 89368-12-7
- Cat. No. CS-W019337
- Purity ≥97%
- MDL No. MFCD11848490
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₉BrO₂
- Molecular Weight 229.07
- Synonym(s) 4'-bromo-2'-methoxyacetophenone
- SMILES COC1=C(C=CC(Br)=C1)C(C)=O
Description
1-(4-Bromo-2-methoxyphenyl)ethanone features a brominated aromatic core paired with a methoxy substituent, delivering enhanced electronic modulation and solubility. This ketone integrates readily into cross-coupling workflows, serving as a key building block for bioactive molecule synthesis under standard conditions.
Application
1-(4-Bromo-2-methoxyphenyl)ethanone serves as a versatile building block in medicinal chemistry and materials science, enabling efficient construction of biaryl scaffolds via Suzuki-Miyaura and Negishi coupling reactions. The molecule’s bromo and methoxy substituents provide orthogonal functionalization handles, while the ketone group supports downstream transformations including reductive amination and nucleophilic addition. Bench-stable and readily purified by flash chromatography, it functions reliably in multi-step syntheses requiring high reproducibility.
Synthesis
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Route1
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In-stock
30186-18-6 -
74-88-4 - ~96%
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In-stock
89368-12-7
References
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Novak, Jiri; Salemink, Cornelis A. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983 , # 12 p. 2867 - 2871
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Route2
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2398-37-0
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75-36-5
- ~18%
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In-stock
89691-67-8 -
In-stock
89368-12-7
References
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GENFIT Patent: US2010/4159 A1, 2010 ; Location in patent: Page/Page column 59-60 ;
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Route3
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In-stock
30186-18-6
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77-78-1
- ~75%
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In-stock
89368-12-7
References
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Wang, Chen; Dong, Jinyun; Zhang, Yanmin; Wang, Fang; Gao, Hongping; Li, Pengfei; Wang, Sicen; Zhang, Jie MedChemComm, 2013 , vol. 4, # 11 p. 1434 - 1438
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05
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Signal Word : Danger
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UN#: 3261
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 2.6603
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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