Description

4-(tert-Butyl)-2-chloropyridine (CAS No. 81167-60-4) is a high-purity chlorinated pyridine derivative with the molecular formula C₉H₁₂ClN. This compound is characterized by the presence of a tert-butyl group at the 4-position and a chloro substituent at the 2-position of the pyridine ring, offering unique steric and electronic properties for advanced synthetic applications. Ideal for researchers and scientists, this reagent is rigorously tested for quality, ensuring optimal performance in organometallic coupling reactions, pharmaceutical intermediates, and agrochemical synthesis. Supplied in sealed containers under inert conditions to guarantee stability and longevity. Purity is verified via GC/MS, NMR, and HPLC analysis to meet stringent laboratory standards.

Properties

• CAS Number: 81167-60-4
• Complexity: 128
• IUPAC Name: 4-tert-butyl-2-chloro-pyridine
• InChI: InChI=1S/C9H12ClN/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6H,1-3H3
• InChI Key: UGGNULHQVUWRGQ-UHFFFAOYSA-N
• Exact Mass: 169.0658271
• Molecular Formula: C9H12ClN
• Molecular Weight: 169.65
• SMILES: CC(C)(C)C1=CC(=NC=C1)Cl
• Topological: 12.9
• Monoisotopic Mass: 169.0658271
• Synonyms: 4-(tert-butyl)-2-chloropyridine, 834-439-1, 81167-60-4, 4-TERT-BUTYL-2-CHLOROPYRIDINE, 4-tert-Butyl-2-chloro-pyridine, 4-T-BUTYL-2-CHLORO-PYRIDINE, MFCD12131129, Pyridine, 2-chloro-4-(1,1-dimethylethyl)-, chloro(4-t-butylpyridine), 2-chloro-4-terbutylpyridine, 2-Chloro-4-t-butylpyridine, SCHEMBL803495, 2-Chloro-4-tert-butylpyridine, DTXSID00721046, GDA16760, SBB088347, AKOS023570322, AB65343, CS-W022028, DS-8376, SY105781, DB-367973, B5466, EN300-86206

Application

4-(tert-Butyl)-2-chloropyridine serves as a versatile building block in medicinal chemistry for the synthesis of bioactive molecules and drug candidates. Its sterically hindered structure makes it valuable in catalytic cross-coupling reactions, such as Suzuki-Miyaura or Negishi couplings. The compound is also employed in material science for designing ligands in coordination chemistry and as a precursor for functionalized pyridine derivatives.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (50%)

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