Lot numbers can be found on the outside label of a product:
Ethyl 3-bromo-1H-indole-2-carboxylate
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CAS No. 91348-45-7
- Cat. No. CS-W002873
- Purity≥98%
- MDL No.MFCD02071793
*For research and further manufacturing use only, not for direct human use.
Structure of 91348-45-7
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General Information
- CAS No. 91348-45-7
- Cat. No. CS-W002873
- Purity ≥98%
- MDL No. MFCD02071793
- Storage -20°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₀BrNO₂
- Molecular Weight 268.11
- Synonym(s) 3-Bromoindole-2-carboxylic Acid Ethyl Ester
- SMILES O=C(C(N1)=C(Br)C2=C1C=CC=C2)OCC
Description
Ethyl 3-bromo-1H-indole-2-carboxylate features a brominated indole scaffold with a pendant ethyl ester, enabling direct functionalization at the 3-position. This bench-stable derivative facilitates C–C and C–heteroatom coupling reactions in synthetic routes to bioactive indole alkaloids and pharmaceutical intermediates.
Application
Ethyl 3-bromo-1H-indole-2-carboxylate serves as a versatile building block for the synthesis of substituted indoles and heterocyclic scaffolds. The bromo group at the 3-position enables efficient palladium-catalyzed cross-coupling reactions, while the ester functionality supports further transformations such as hydrolysis or reduction. Its bench-stable nature and compatibility with diverse functional groups make it well-suited for medicinal chemistry applications and modular library synthesis.
Synthesis
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Route1
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In-stock
3770-50-1 - ~99%
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In-stock
91348-45-7
References
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Hopkins, Corey R.; O'Neil, Steven V.; Laufersweiler, Michael C.; Wang, Yili; Pokross, Matthew; Mekel, Marlene; Evdokimov, Artem; Walter, Richard; Kontoyianni, Maria; Petrey, Maria E.; Sabatakos, Georgios; Roesgen, Jeff T.; Richardson, Eloise; Demuth Jr., Thomas P. Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 21 p. 5659 - 5663
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Route2
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In-stock
3770-50-1
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560-95-2 - ~%
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In-stock
91348-45-7
References
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Chemische Berichte, , vol. 56, p. 1024
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Route3
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41969-23-7
- ~%
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In-stock
91348-45-7
References
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Chemische Berichte, , vol. 56, p. 1024
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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 3.1071
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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