Lot numbers can be found on the outside label of a product:
Methyl 4-methoxy-3-nitrobenzoate
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CAS No. 40757-20-8
- Cat. No. CS-W005995
- Purity≥98%
- MDL No.MFCD00024213
*For research and further manufacturing use only, not for direct human use.
Structure of 40757-20-8
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General Information
- CAS No. 40757-20-8
- Cat. No. CS-W005995
- Purity ≥98%
- MDL No. MFCD00024213
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₉NO₅
- Molecular Weight None
- Synonym(s) Methyl 3-Nitro-p-anisate
- SMILES O=C(OC)C1=CC=C(OC)C([N+]([O-])=O)=C1
Description
Methyl 4-methoxy-3-nitrobenzoate features a nitro group at the meta position relative to the ester, enhancing electrophilicity for nucleophilic substitution. The para-methoxy substituent imparts electron-donating character and improves solubility in organic solvents. This combination enables efficient functionalization in synthetic sequences requiring controlled reactivity.
Application
Methyl 4-methoxy-3-nitrobenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted aromatic scaffolds. The nitro group facilitates subsequent reduction and coupling reactions, while the methoxy and ester functionalities offer orthogonal reactivity for selective transformations. Its bench-stable nature and straightforward purification support reliable use in multi-step syntheses, particularly in medicinal chemistry and heterocycle construction.
Synthesis
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Route1
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67-56-1 -
In-stock
89-41-8 - ~%
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In-stock
40757-20-8
References
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Peterson, John R.; Do, Hoang D.; Dunham, Andrew J. Canadian Journal of Chemistry, 1988 , vol. 66, p. 1670 - 1674
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References
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Cassella AG Patent: US5424479 A1, 1995 ;
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Route3
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121-98-2 - ~%
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In-stock
40757-20-8
References
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Cahours Justus Liebigs Annalen der Chemie, 1845 , vol. 56, p. 308 Annales de Chimie (Cachan, France), 1845 , vol. <3> 14, p. 486
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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 78.67
- LogP 1.39
- H_Acceptors 5
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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