Lot numbers can be found on the outside label of a product:
methyl 5-bromo-2-(bromomethyl)benzoate
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CAS No. 79670-17-0
- Cat. No. CS-0005239
- Purity≥95%
- MDL No.MFCD11505949
*For research and further manufacturing use only, not for direct human use.
Structure of 79670-17-0
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General Information
- CAS No. 79670-17-0
- Cat. No. CS-0005239
- Purity ≥95%
- MDL No. MFCD11505949
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₈Br₂O₂
- Molecular Weight None
- Synonym(s) tert-butyl 3-allyl-3-hydroxyazetidine-97-carboxylate
- SMILES O=C(OC)C1=CC(Br)=CC=C1CBr
Description
Methyl 5-bromo-2-(bromomethyl)benzoate features a dual bromine functionality: a bromo group at the meta position and a bromomethyl substituent at the ortho position relative to the ester. This electron-deficient aromatic scaffold enables selective cross-coupling reactions and serves as a versatile intermediate in synthetic routes requiring orthogonal reactivity.
Application
Methyl 5-bromo-2-(bromomethyl)benzoate serves as a versatile dihalogenated building block for diversification in synthetic organic chemistry. The bromomethyl group enables facile functionalization via nucleophilic substitution, while the para-bromo substituent supports palladium-catalyzed cross-coupling reactions. Its bench-stable nature and compatibility with standard purification methods facilitate integration into multi-step syntheses of complex heterocycles and pharmaceutical intermediates.
Synthesis
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References
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ELI LILLY AND COMPANY Patent: WO2005/73205 A1, 2005 ; Location in patent: Page/Page column 27-28 ; WO 2005/073205 A1
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Route2
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In-stock
79669-49-1 - ~%
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In-stock
79670-17-0
References
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WO2011/80718 A1, ;
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Route3
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118-90-1 - ~%
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In-stock
79670-17-0
References
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WO2011/80718 A1, ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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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 : Ⅱ
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Hazard Statements : H302-H314
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Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 3.1306
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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