Cas no 81167-60-4 (4-tert-butyl-2-chloropyridine)

4-tert-Butyl-2-chloropyridine is a chlorinated pyridine derivative featuring a tert-butyl substituent at the 4-position. This compound is valued for its role as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The tert-butyl group enhances steric and electronic properties, while the chlorine at the 2-position offers reactivity for further functionalization, such as cross-coupling or nucleophilic substitution reactions. Its stable structure and well-defined reactivity make it suitable for constructing complex heterocyclic frameworks. The compound is typically handled under standard laboratory conditions, with purity levels tailored to synthetic requirements. Its consistent performance and compatibility with diverse reaction conditions underscore its utility in research and industrial processes.
4-tert-butyl-2-chloropyridine structure
4-tert-butyl-2-chloropyridine structure
Product Name:4-tert-butyl-2-chloropyridine
CAS No:81167-60-4
MF:C9H12ClN
MW:169.651281356812
MDL:MFCD12131129
CID:1080527
PubChem ID:57345981
Update Time:2025-06-07

4-tert-butyl-2-chloropyridine Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-4-(1,1-dimethylethyl)-Pyridine
    • 4-(tert-Butyl)-2-chloropyridine
    • 4-t-Butyl-2-chloro-pyridine
    • 4-tert-butyl-2-chloropyridine
    • 4-TERT-BUTYL-2-CHLORO-PYRIDINE
    • 4-tert-butyl-2-chloropyridine4-tert-butyl-2-chloropyridine
    • 2-Chloro-4-(1,1-dimethylethyl)pyridine (ACI)
    • 2-Chloro-4-tert-butylpyridine
    • 4-t-Butyl-2-chloropyridine
    • SY105781
    • chloro(4-t-butylpyridine)
    • DS-8376
    • DB-367973
    • CS-W022028
    • 81167-60-4
    • DTXSID00721046
    • EN300-86206
    • AB65343
    • B5466
    • MFCD12131129
    • 2-Chloro-4-(tert-Butyl)pyridine
    • Pyridine, 2-chloro-4-(1,1-dimethylethyl)-
    • 2-Chloro-4-tert.-butylpyridine
    • 2-Chloro-4-t-butylpyridine
    • SCHEMBL803495
    • 2-chloro-4-terbutylpyridine
    • AKOS023570322
    • J-400292
    • MDL: MFCD12131129
    • Inchi: 1S/C9H12ClN/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6H,1-3H3
    • InChI Key: UGGNULHQVUWRGQ-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(C)(C)C)C=CN=1

Computed Properties

  • Exact Mass: 169.0658271g/mol
  • Monoisotopic Mass: 169.0658271g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 128
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • Refractive Index: 1.5130 to 1.5170

4-tert-butyl-2-chloropyridine Security Information

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4-tert-butyl-2-chloropyridine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ;  12 - 16 h, reflux
Reference
Intra- and Intermolecular C-H Activation by Bis(phenolate)pyridineiridium(III) Complexes
Fu, Ross; et al, Organometallics, 2011, 30(24), 6751-6765

Production Method 2

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ;  12 - 16 h, reflux; cooled
Reference
Synthesis, Characterization, and DFT-TDDFT Computational Study of a Ruthenium Complex Containing a Functionalized Tetradentate Ligand
Barolo, C.; et al, Inorganic Chemistry, 2006, 45(12), 4642-4653

Production Method 3

Reaction Conditions
Reference
Alkylation of pyridine in free radical chain reactions utilizing alkylmercurials
Russell, Glen A.; et al, Journal of Organic Chemistry, 1985, 50(18), 3423-5

4-tert-butyl-2-chloropyridine Raw materials

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Suzhou Senfeida Chemical Co., Ltd
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(CAS:81167-60-4)4-tert-butyl-2-chloropyridine
Order Number:sfd18528
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally
Amadis Chemical Company Limited
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(CAS:81167-60-4)4-tert-butyl-2-chloropyridine
Order Number:A864593
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:47
Price ($):168.0
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Suzhou Senfeida Chemical Co., Ltd
(CAS:81167-60-4)4-tert-butyl-2-chloropyridine
sfd18528
Purity:99.9%
Quantity:200kg
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Amadis Chemical Company Limited
(CAS:81167-60-4)4-tert-butyl-2-chloropyridine
A864593
Purity:99%
Quantity:25g
Price ($):168.0
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