Lot numbers can be found on the outside label of a product:
Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate
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CAS No. 22955-77-7
- Cat. No. CS-0006584
- Purity≥96%
- MDL No.MFCD00667641
*For research and further manufacturing use only, not for direct human use.
Structure of 22955-77-7
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General Information
- CAS No. 22955-77-7
- Cat. No. CS-0006584
- Purity ≥96%
- MDL No. MFCD00667641
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₀O₃
- Molecular Weight 190.20
- Synonym(s) 1-Oxo-indan-2-carboxylic acid methyl ester
- SMILES O=C1C(C(OC)=O)CC2=CC=CC=C21
Description
Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate is a bench-stable, moisture-tolerant heterocyclic ester featuring a fused bicyclic core with an electron-deficient carbonyl at the 1-position. This compound integrates readily into synthetic sequences requiring a rigid, planar scaffold with defined reactivity at the α-carbon.
Application
Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted indene scaffolds. Its conjugated enone system facilitates Michael additions and Diels-Alder reactions, while the ester group supports selective transformations under standard conditions. Bench-stable and readily purified, it functions effectively in multistep syntheses targeting complex heterocycles and bioactive intermediates.
Synthesis
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Route1
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34288-40-9 - ~85%
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In-stock
22955-77-7
References
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Sass, Daiane Cristina; De Lucca Jr., Emilio Carlos; Da Silva Barbosa, Jader; De Oliveira, Kleber Thiago; Constantino, Mauricio Gomes Tetrahedron Letters, 2011 , vol. 52, # 41 p. 5371 - 5374
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Route2
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83-33-0 -
616-38-6
- ~82%
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In-stock
22955-77-7
References
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Van Emelen; De Wit; Hoornaert; Compernolle Organic letters, 2000 , vol. 2, # 20 p. 3083 - 3086
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Route3
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25040-17-9
- ~67%
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In-stock
22955-77-7
References
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GLAXO GROUP LIMITED; COULTON, Steven; GILPIN, Martin; WARD, Simon, E Patent: WO2010/57865 A1, 2010 ; Location in patent: Page/Page column 23-24 ; WO 2010/057865 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 43.37
- LogP 1.2146
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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