Lot numbers can be found on the outside label of a product:
Methyl 3-bromo-4-formylbenzoate
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CAS No. 90484-53-0
- Cat. No. CS-0041512
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 90484-53-0
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General Information
- CAS No. 90484-53-0
- Cat. No. CS-0041512
- Purity ≥97%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇BrO₃
- Molecular Weight 243.05
- Synonym(s) methyl3-bromo-4-formylbenzoate
- SMILES COC(=O)C1=CC(Br)=C(C=O)C=C1
Description
Methyl 3-bromo-4-formylbenzoate features a bromine atom at the meta position and a formyl group at the para position relative to the methyl ester, enabling diverse cross-coupling and functionalization strategies. This bench-stable derivative integrates readily into complex molecular architectures under standard conditions.
Application
Methyl 3-bromo-4-formylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions at the bromo position and formyl-directed functionalization. Its dual reactive handles—electrophilic bromide and aldehyde—facilitate sequential transformations, including Suzuki-Miyaura coupling and reductive amination, with excellent bench stability and straightforward purification. This compound functions as a key intermediate in the synthesis of substituted aromatic scaffolds relevant to medicinal chemistry and materials science.
Synthesis
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Route1
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In-stock
78946-25-5 - ~50%
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In-stock
90484-53-0
References
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ALMIRALL, S.A.; DRACONIS PHARMA, S.L.; LABORATORIOS DEL DR. ESTEVE, S.A.; AGUILAR, Nuria; FERNANDEZ, Joan, Carles; TERRICABRAS, Emma; CARCELLER GONZALEZ, Elena; SALAS SOLANA, Jordi Patent: WO2013/149997 A1, 2013 ; Location in patent: Page/Page column 51 ;
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Route2
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1001200-40-3 - ~91%
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In-stock
90484-53-0
References
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Augustine, John Kallikat; Naik, Y. Arthoba; Mandal, Ashis Baran; Chowdappa, Nagaraja; Praveen, Vinuthan B. Tetrahedron, 2008 , vol. 64, # 4 p. 688 - 695
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Route3
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In-stock
104901-43-1 - ~%
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In-stock
90484-53-0
References
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ALMIRALL, S.A.; DRACONIS PHARMA, S.L.; LABORATORIOS DEL DR. ESTEVE, S.A.; AGUILAR, Nuria; FERNANDEZ, Joan, Carles; TERRICABRAS, Emma; CARCELLER GONZALEZ, Elena; SALAS SOLANA, Jordi Patent: WO2013/149997 A1, 2013 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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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 43.37
- LogP 2.0482
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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