Lot numbers can be found on the outside label of a product:
1-Bromo-4-(tert-butoxy)benzene
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CAS No. 60876-70-2
- Cat. No. CS-W014193
- Purity≥98%
- MDL No.MFCD00792676
*For research and further manufacturing use only, not for direct human use.
Structure of 60876-70-2
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General Information
- CAS No. 60876-70-2
- Cat. No. CS-W014193
- Purity ≥98%
- MDL No. MFCD00792676
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃BrO
- Molecular Weight 229.12
- Synonym(s) p-tert-Butoxybromobenzene
- SMILES CC(OC1=CC=C(Br)C=C1)(C)C
Description
1-Bromo-4-(tert-butoxy)benzene features a para-substituted aryl bromide with a sterically hindered tert-butoxy group, enhancing stability and reducing unwanted side reactions. This bench-stable reagent facilitates palladium-catalyzed cross-coupling processes under standard conditions, enabling efficient access to complex aromatic architectures in synthetic organic chemistry.
Application
1-Bromo-4-(tert-butoxy)benzene serves as a versatile building block in cross-coupling reactions, enabling efficient construction of biaryl architectures under standard Suzuki-Miyaura and Stille conditions. The tert-butoxy group provides excellent steric and electronic modulation while maintaining bench stability and compatibility with common protecting group manipulations. Its predictable reactivity and ease of purification make it a reliable choice for medicinal chemistry and materials synthesis workflows.
Synthesis
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Route1
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106-41-2 -
115-11-7
- ~93%
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In-stock
60876-70-2
References
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Soi, Antonio; Pfeiffer, Jens; Jauch, Johann; Schurig, Volker Tetrahedron Asymmetry, 1999 , vol. 10, # 1 p. 177 - 182
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Route2
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In-stock
6669-13-2 - ~99%
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In-stock
60876-70-2
References
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Yakabe, Shigetaka; Hirano, Masao; Morimoto, Takashi Organic Preparations and Procedures International, 1998 , vol. 30, # 2 p. 218 - 222
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Route3
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106-41-2
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In-stock
98946-18-0 - ~86%
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In-stock
60876-70-2
References
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Kang, Sang-Uk; Shi, Zhen-Dan; Worthy, Karen M.; Bindu, Lakshman K.; Dharmawardana, Pathirage G.; Choyke, Sarah J.; Bottaro, Donald P.; Fisher, Robert J.; Burke Jr., Terrence R. Journal of Medicinal Chemistry, 2005 , vol. 48, # 12 p. 3945 - 3948
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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 : H315-H319
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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 9.23
- LogP 3.6264
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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