Lot numbers can be found on the outside label of a product:
Methyl 4-fluoro-1H-indole-2-carboxylate
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CAS No. 113162-36-0
- Cat. No. CS-0030010
- Purity≥98%
- MDL No.MFCD06653401
*For research and further manufacturing use only, not for direct human use.
Structure of 113162-36-0
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General Information
- CAS No. 113162-36-0
- Cat. No. CS-0030010
- Purity ≥98%
- MDL No. MFCD06653401
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₈FNO₂
- Molecular Weight 193.17
- Synonym(s) 1H-Indole-2-carboxylic acid, 4-fluoro-, Methyl ester
- SMILES O=C(C(N1)=CC2=C1C=CC=C2F)OC
Description
Methyl 4-fluoro-1H-indole-2-carboxylate features a fluorinated indole core with a methyl ester at the C2 position, offering enhanced electronic modulation and metabolic stability. This bench-stable compound integrates readily into synthetic routes for bioactive heterocycles, serving as a key intermediate in medicinal chemistry campaigns targeting CNS agents and kinase inhibitors.
Application
Methyl 4-fluoro-1H-indole-2-carboxylate serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C4 position of the indole scaffold. The fluorine substituent enhances metabolic stability and modulates electronic properties, while the ester group facilitates downstream transformations such as hydrolysis, amidation, or coupling reactions. Its bench-stable nature and compatibility with standard cross-coupling protocols make it a practical choice for constructing complex heterocyclic architectures in API development.
Synthesis
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Route1
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1816-92-8 -
In-stock
446-52-6 - ~64%
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In-stock
113162-36-0
References
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Bozilovic, Jelena; Engels, Joachim W. Nucleosides, Nucleotides and Nucleic Acids, 2007 , vol. 26, # 8-9 p. 869 - 871
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Route2
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67-56-1
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1816-92-8
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In-stock
446-52-6
- ~66%
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In-stock
113162-36-0
References
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Bozilovic, Jelena; Bats, Jan W.; Engels, Joachim W. Canadian Journal of Chemistry, 2007 , vol. 85, # 4 p. 283 - 292
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Route3
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In-stock
769-10-8 - ~%
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In-stock
113162-36-0
References
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Fagan, Gay P.; Chapleo, Christopher B.; Lane, Anthony C.; Myers, Malcolm; Roach, Alan G.; et al Journal of Medicinal Chemistry, 1988 , vol. 31, # 5 p. 944 - 948
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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 42.09
- LogP 2.0936
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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