Lot numbers can be found on the outside label of a product:
Methyl 3-formyl-1H-indole-4-carboxylate
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CAS No. 53462-88-7
- Cat. No. CS-0036846
- Purity≥95%
- MDL No.MFCD06656838
*For research and further manufacturing use only, not for direct human use.
Structure of 53462-88-7
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General Information
- CAS No. 53462-88-7
- Cat. No. CS-0036846
- Purity ≥95%
- MDL No. MFCD06656838
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₉NO₃
- Molecular Weight 203.19
- Synonym(s) Methyl-3-Formylindole-4-carboxylate
- SMILES COC(=O)C1=C2C(=CNC2=CC=C1)C=O
Description
Methyl 3-formyl-1H-indole-4-carboxylate features a fused indole core with strategically positioned formyl and ester groups, enabling direct functionalization in heterocyclic synthesis. The electron-deficient formyl moiety facilitates nucleophilic addition, while the bench-stable ester supports downstream derivatization under standard conditions. This compound serves as a key intermediate in medicinal chemistry and materials science applications.
Application
Methyl 3-formyl-1H-indole-4-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to biologically relevant indole derivatives. The molecule combines an electrophilic formyl group at the 3-position with a methyl ester at the 4-position, allowing for selective functionalization via nucleophilic addition, reductive amination, or coupling reactions. Its bench-stable nature and compatibility with standard reaction conditions facilitate straightforward purification and integration into multi-step syntheses of heterocyclic scaffolds and pharmaceutical intermediates.
Synthesis
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Route1
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In-stock
39830-66-5 -
68-12-2 - ~60%
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In-stock
53462-88-7
References
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LABORATORIOS DEL DR. ESTEVE, S.A.; DRACONIS PHARMA, S.L.; ALMIRALL, S.A.; TORRENS JOVER, Andoni; MERCÈ VIDAL, Ramon; CALDENTEY FRONTERA, Francesc Xavier; RODRÍGUEZ GARRIDO, Antonio, David; CARCELLER GONZÁLEZ, Elena; SALAS SOLANA, Jordi Patent: WO2013/37960 A1, 2013 ; Location in patent: Page/Page column 82 ;
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Route2
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In-stock
39830-66-5
- ~%
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In-stock
53462-88-7
References
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US5272143 A1, ;
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Route3
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In-stock
39830-66-5
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107-06-2
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93-61-8
- ~%
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In-stock
53462-88-7
References
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US3978066 A1, ;
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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 59.16
- LogP 1.767
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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