Lot numbers can be found on the outside label of a product:
4-(Tert-butyl)picolinic acid
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CAS No. 42205-74-3
- Cat. No. CS-0182544
- Purity≥96%
- MDL No.MFCD07437876
*For research and further manufacturing use only, not for direct human use.
Structure of 42205-74-3
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General Information
- CAS No. 42205-74-3
- Cat. No. CS-0182544
- Purity ≥96%
- MDL No. MFCD07437876
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃NO₂
- Molecular Weight 179.22
- Synonym(s) 4-TERT-BUTYLPICOLINIC ACID
- SMILES O=C(C1=NC=CC(C(C)(C)C)=C1)O
Description
4-(Tert-butyl)picolinic acid is a sterically hindered, bench-stable pyridine carboxylic acid featuring a bulky tert-butyl group at the para position. This substitution enhances solubility in organic solvents and imparts resistance to decomposition under standard handling conditions. The molecule integrates readily into ligand frameworks for transition metal catalysis and serves as a key building block in bioactive molecule synthesis.
Application
4-(Tert-butyl)picolinic acid serves as a versatile building block in medicinal chemistry, offering a sterically hindered pyridine carboxylic acid scaffold with enhanced solubility and metabolic stability. Its tert-butyl group provides favorable steric and electronic modulation, enabling efficient coupling reactions and serving as a handle for further functionalization. The molecule exhibits excellent bench stability and facilitates purification via standard chromatographic methods, making it well-suited for use in API development and synthetic route optimization.
Synthesis
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Route1
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In-stock
42205-73-2 - ~69%
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In-stock
42205-74-3
References
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Shiseido Company, Ltd. Patent: US5219847 A1, 1993 ;
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Route2
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23569-17-7 - ~%
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In-stock
42205-74-3
References
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Ko, Po-Hung; Chen, Tai-Yuen; Zhu, Jin; Cheng, Kin-Fai; Peng, Shie-Ming; Che, Chi-Ming Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1995 , # 13 p. 2215 - 2220
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Route3
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124-38-9
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In-stock
50488-34-1 - ~%
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In-stock
42205-74-3
References
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Birkenmeyer; Kroll; Lewis; et al. Journal of Medicinal Chemistry, 1984 , vol. 27, # 2 p. 216 - 223
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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 : H302-H315-H319-H335
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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 50.19
- LogP 2.0773
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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