Lot numbers can be found on the outside label of a product:
Methyl 2-methyl-4-nitrobenzoate
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CAS No. 62621-09-4
- Cat. No. CS-0044777
- Purity≥98%
- MDL No.MFCD03618407
*For research and further manufacturing use only, not for direct human use.
Structure of 62621-09-4
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General Information
- CAS No. 62621-09-4
- Cat. No. CS-0044777
- Purity ≥98%
- MDL No. MFCD03618407
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₉NO₄
- Molecular Weight 195.17
- Synonym(s) Methyl 4-Nitro-o-toluate
- SMILES O=C(OC)C1=CC=C([N+]([O-])=O)C=C1C
Description
Methyl 2-methyl-4-nitrobenzoate features a para-nitro group flanking a methyl-substituted benzene ring, delivering enhanced electron-withdrawing character. This configuration supports efficient coupling in cross-coupling reactions and facilitates selective functionalization in synthetic sequences. The ester moiety enables straightforward derivatization, while the compound exhibits good bench stability and solubility in common organic solvents.
Application
Methyl 2-methyl-4-nitrobenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted aromatic scaffolds. Its ortho-methyl and para-nitro groups provide directed functionalization sites, while the ester moiety supports selective transformations including reduction, coupling, and nucleophilic substitution. Bench-stable and readily purified by recrystallization, it functions reliably in multistep syntheses for pharmaceutical intermediates and agrochemicals.
Synthesis
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Route1
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In-stock
1975-51-5 -
74-88-4 - ~99%
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In-stock
62621-09-4
References
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GALAPAGOS NV; MENET, Christel, Jeanne, Marie; BLANC, Javier; HODGES, Alastair, James; BURLI, Roland, Werner; BRECCIA, Perla; BLACKABY, Wesley, Peter; VAN ROMPAEY, Luc, Juliaan, Corina; FLETCHER, Stephen, Robert Patent: WO2010/10184 A1, 2010 ; Location in patent: Page/Page column 59 ; WO 2010/010184 A1
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Route2
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67-56-1
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In-stock
1975-51-5
- ~97%
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In-stock
62621-09-4
References
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SMITHKLINE BEECHAM CORPORATION Patent: WO2009/47240 A1, 2009 ; Location in patent: Page/Page column 28 ; WO 2009/047240 A1
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Route3
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67-56-1
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201230-82-2
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In-stock
5326-38-5 - ~%
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In-stock
62621-09-4
References
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WO2006/7542 A1, ; Page/Page column 24 ;
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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 69.44
- LogP 1.68982
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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