Lot numbers can be found on the outside label of a product:
Methyl 3-methyl-4-nitrobenzoate
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CAS No. 24078-21-5
- Cat. No. CS-M0758
- Purity≥97%
- MDL No.MFCD00085640
*For research and further manufacturing use only, not for direct human use.
Structure of 24078-21-5
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General Information
- CAS No. 24078-21-5
- Cat. No. CS-M0758
- Purity ≥97%
- MDL No. MFCD00085640
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₉NO₄
- Molecular Weight None
- Synonym(s) N-PROPYL-4-METHYL-6-CARBOXY-BENZIMIDAZOLE; Methyl 3-methyl-4-nitrobenzoate
- SMILES CC1=C([N+]([O-])=O)C=CC(C(OC)=O)=C1
Description
Methyl 3-methyl-4-nitrobenzoate is a bench-stable, moisture-tolerant ester featuring a para-nitro group flanked by a methyl substituent on the aromatic ring. This electron-deficient scaffold integrates readily into synthetic sequences requiring nitroaryl intermediates, enabling efficient access to functionalized heterocycles and pharmaceutical building blocks under standard conditions.
Application
Methyl 3-methyl-4-nitrobenzoate serves as a versatile synthetic intermediate in medicinal chemistry and agrochemical research. Its ortho-substituted nitro group enables efficient reduction to the corresponding amine, while the methyl ester functions as a handle for selective derivatization. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for multi-step synthesis involving palladium-catalyzed coupling, nucleophilic substitution, or heterocycle formation.
Synthesis
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Route1
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67-56-1 -
In-stock
3113-71-1 - ~96%
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In-stock
24078-21-5
References
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US2012/277224 A1, ; Page/Page column 33 ; US 20120277224 A1
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Route2
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In-stock
3113-71-1
- ~%
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In-stock
24078-21-5
References
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US6500405 B1, ;
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Route3
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In-stock
80866-75-7 -
865-33-8
- ~61%
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In-stock
24078-21-5
References
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Organic Letters, , vol. 15, # 19 p. 5072 - 5075
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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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