Lot numbers can be found on the outside label of a product:
4-tert-Butyl-2-chloroaniline
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CAS No. 42265-67-8
- Cat. No. CS-0072298
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 42265-67-8
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General Information
- CAS No. 42265-67-8
- Cat. No. CS-0072298
- Purity ≥98%
- MDL No. None
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₄ClN
- Molecular Weight 183.68
- Synonym(s) benzenamine, 2-chloro-4-(1,1-dimethylethyl)-
- SMILES ClC1=C(N)C=CC(C(C)(C)C)=C1
Description
4-tert-Butyl-2-chloroaniline features a sterically hindered tert-butyl group adjacent to a chlorinated aromatic ring, enhancing its stability and resistance to oxidation. This electron-deficient aniline derivative facilitates selective coupling reactions in synthetic pathways requiring robust, bench-stable intermediates.
Application
4-tert-Butyl-2-chloroaniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering a robust platform for Suzuki-Miyaura and Buchwald-Hartwig couplings. The ortho-chloro group enables selective functionalization, while the tert-butyl substituent provides steric bulk and enhanced metabolic stability. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step syntheses requiring high functional group tolerance and predictable reactivity.
Synthesis
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Route1
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100141-30-8 - ~72%
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In-stock
42265-67-8
References
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PHARMESTE S.R.L.; NAPOLETANO, Mauro; TREVISANI, Marcello; PAVANI, Maria Giovanna; FRUTTAROLO, Francesca Patent: WO2011/120604 A1, 2011 ; Location in patent: Page/Page column 111; 132 ; WO 2011/120604 A1
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Route2
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507-20-0 -
In-stock
533-17-5 - ~46%
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In-stock
42265-67-8
References
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Ezquerra, Jesus; Pedregal, Concepcion; Lamas, Carlos; Barluenga, Jose; Perez, Marta; Garcia-Martin, Miguel Angel; Gonzalez, Jose M. Journal of Organic Chemistry, 1996 , vol. 61, # 17 p. 5804 - 5812
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Route3
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In-stock
20330-45-4 - ~%
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In-stock
42265-67-8
References
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Morton; Claff Journal of Organic Chemistry, 1956 , vol. 21, p. 736
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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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.02
- LogP 3.2197
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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