Lot numbers can be found on the outside label of a product:
4-Bromo-2-methoxy-1-phenylmethoxybenzene
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CAS No. 63057-72-7
- Cat. No. CS-0061925
- Purity≥97%
- MDL No.MFCD00092521
*For research and further manufacturing use only, not for direct human use.
Structure of 63057-72-7
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General Information
- CAS No. 63057-72-7
- Cat. No. CS-0061925
- Purity ≥97%
- MDL No. MFCD00092521
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₄H₁₃BrO₂
- Molecular Weight 293.16
- Synonym(s) 1-(Benzyloxy)-4-bromo-2-methoxybenzene
- SMILES COC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2
Description
4-Bromo-2-methoxy-1-phenylmethoxybenzene features a strategically positioned bromine atom and a methoxy group flanking a phenylmethoxy substituent, enabling selective cross-coupling reactions. This electron-rich aromatic scaffold integrates readily into complex molecular architectures under standard conditions.
Application
4-Bromo-2-methoxy-1-phenylmethoxybenzene serves as a versatile building block in cross-coupling reactions, enabling efficient construction of biaryl scaffolds. Its ortho-methoxy and para-bromo substituents provide orthogonal reactivity for sequential functionalization. The phenylmethoxy group offers stability and facilitates purification, while the bromine center supports reliable Pd-catalyzed coupling under standard conditions. This compound functions effectively in the synthesis of complex pharmaceutical intermediates and functionalized aromatic systems.
Synthesis
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Route1
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In-stock
7368-78-7 -
100-39-0 - ~99%
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In-stock
63057-72-7
References
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PFIZER INC. Patent: US2005/43300 A1, 2005 ; Location in patent: Page/Page column 39 ;
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Route2
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100-39-0
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In-stock
2316-64-5 - ~%
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In-stock
63057-72-7
References
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Eisai Co., Ltd. Patent: EP1394147 A1, 2004 ; Location in patent: Page 76 ;
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Route3
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90-05-1 - ~%
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In-stock
63057-72-7
References
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Riegel; Wittcoff Journal of the American Chemical Society, 1946 , vol. 68, p. 1913,1916
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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 18.46
- LogP 4.0367
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 4
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Key Words
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