5-Bromo-1,3-di-tert-butyl-2-methoxybenzene

Name: 5-Bromo-1,3-di-tert-butyl-2-methoxybenzene
Brand: ChemScene
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CAS No. 1516-96-7
Cat. No. CS-0154930
Molecule weight299.25
Purity≥98%
MDL No.MFCD12024327

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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5-Bromo-1,3-di-tert-butyl-2-methoxybenzene|CS-0154930

Structure of 1516-96-7

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General Information

CAS No. 1516-96-7
Cat. No. CS-0154930
Purity ≥98%
MDL No. MFCD12024327
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₂₃BrO
Molecular Weight 299.25
Synonym(s) 5-Bromo-1,3-di-tert-butyL
SMILES CC(C)(C)C1=C(C(=CC(=C1)Br)C(C)(C)C)OC

Description

5-Bromo-1,3-di-tert-butyl-2-methoxybenzene features a sterically shielded aromatic core with orthogonal functional groups enabling selective transformations. The bromine atom serves as a reliable coupling handle, while the methoxy group enhances solubility and electronic modulation. This bench-stable reagent facilitates efficient access to complex substituted arenes under standard conditions.

Application

5-Bromo-1,3-di-tert-butyl-2-methoxybenzene serves as a sterically hindered aryl bromide intermediate, enabling reliable Suzuki-Miyaura and Stille coupling reactions under mild conditions. The ortho-di-tert-butyl substitution provides exceptional bench stability and minimizes unwanted side reactions, while the methoxy group offers orthogonal reactivity for selective functionalization. This compound functions effectively in the synthesis of complex biaryl scaffolds and advanced pharmaceutical intermediates requiring high regiocontrol and steric integrity.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
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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Computational Chemistry Data

TPSA 9.23
LogP 5.0527
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-Bromo-1,3-di-tert-butyl-2-methoxybenzene

CAS No. 1516-96-7

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