Lot numbers can be found on the outside label of a product:
Tert-butyl 5-fluoro-1H-indole-1-carboxylate
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CAS No. 129822-47-5
- Cat. No. CS-0468641
- Purity≥98%
- MDL No.MFCD09870066
*For research and further manufacturing use only, not for direct human use.
Structure of 129822-47-5
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General Information
- CAS No. 129822-47-5
- Cat. No. CS-0468641
- Purity ≥98%
- MDL No. MFCD09870066
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₃H₁₄FNO₂
- Molecular Weight 235.25
- Synonym(s) N-Boc-5-fluoroindole
- SMILES FC1=CC2=C(N(C(OC(C)(C)C)=O)C=C2)C=C1
Description
Tert-butyl 5-fluoro-1H-indole-1-carboxylate features a fluoro-substituted indole core with a tert-butoxycarbonyl group at the nitrogen, providing stability and ease of handling. This bench-stable derivative enables straightforward deprotection and functionalization in synthetic sequences. The electron-deficient nature of the 5-fluoro substitution enhances reactivity in cross-coupling and electrophilic aromatic substitution processes.
Application
Tert-butyl 5-fluoro-1H-indole-1-carboxylate serves as a versatile building block for the synthesis of fluorinated indole derivatives. The tert-butyl carbamate group provides stability and facilitates selective deprotection under mild acidic conditions, while the 5-fluoro substituent enables site-specific functionalization via palladium-catalyzed cross-coupling or electrophilic substitution. Its robustness and compatibility with standard synthetic protocols make it a practical choice for medicinal chemistry campaigns targeting bioactive indole scaffolds.
Synthesis
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Route1
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In-stock
777061-36-6 - ~71%
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In-stock
129822-47-5
References
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PRESIDENT AND FELLOWS OF HARVARD COLLEGE; RITTER, Tobias; FURUYA, Takeru; TANG, Pingping Patent: WO2010/59943 A2, 2010 ; Location in patent: Page/Page column 89; 90 ;
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Route2
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In-stock
317830-84-5 - ~94%
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In-stock
129822-47-5
References
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PRESIDENT AND FELLOWS OF HARVARD COLLEGE; RITTER, Tobias; FURUYA, Takeru; TANG, Pingping Patent: WO2010/59943 A2, 2010 ; Location in patent: Page/Page column 89 ;
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Route3
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1167418-11-2 - ~83%
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In-stock
129822-47-5
References
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PRESIDENT AND FELLOWS OF HARVARD COLLEGE; RITTER, Tobias; FURUYA, Takeru; TANG, Pingping Patent: WO2010/59943 A2, 2010 ; Location in patent: Page/Page column 89; 90 ;
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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 : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 31.23
- LogP 3.5636
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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