2-Bromo-5-(tert-butyl)-1,3-dimethylbenzene

Name: 2-Bromo-5-(tert-butyl)-1,3-dimethylbenzene
Brand: ChemScene
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CAS No. 5345-05-1
Cat. No. CS-0162473
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-Bromo-5-(tert-butyl)-1,3-dimethylbenzene|CS-0162473

Structure of 5345-05-1

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Description

Tolmetin Sodium is an anti-inflammatory, antirheumatic agent. It can inhibit aldo-keto reductases (e.g., IC50 = 2.39 μM for human aldose reductase), a family of enzymes that catalyze the NADPH-dependent reduction of carbonyl groups in a number of important steroid, metabolic, and prostanoid molecules. It is a beta-adrenergic blocker.

Application

2-Bromo-5-(tert-butyl)-1,3-dimethylbenzene serves as a versatile building block in medicinal chemistry and materials synthesis, enabling palladium-catalyzed cross-coupling reactions. The tert-butyl group provides steric shielding and enhances bench stability, while the bromine atom facilitates reliable C–C bond formation under standard Suzuki, Stille, or Negishi conditions. Its ortho-substituted aryl scaffold offers predictable reactivity and ease of purification, making it ideal for constructing complex aromatic architectures in high-throughput workflows.

General Information

CAS No. 5345-05-1
Cat. No. CS-0162473
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₇Br
Molecular Weight 241.17
Synonym(s) 2-Bromo-5-tert-butyl-1,3-dimethylbenzene
SMILES CC1=C(Br)C(C)=CC(C(C)(C)C)=C1

Computational Chemistry Data

TPSA 0
LogP 4.36344
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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2-Bromo-5-(tert-butyl)-1,3-dimethylbenzene

CAS No. 5345-05-1

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