Lot numbers can be found on the outside label of a product:
Methyl 4-nitrobenzoate
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CAS No. 619-50-1
- Cat. No. CS-W016003
- Purity≥98%
- MDL No.MFCD00007350
*For research and further manufacturing use only, not for direct human use.
Structure of 619-50-1
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General Information
- CAS No. 619-50-1
- Cat. No. CS-W016003
- Purity ≥98%
- MDL No. MFCD00007350
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇NO₄
- Molecular Weight None
- Synonym(s) Methyl-p-nitrobenzoate
- SMILES O=C(OC)C1=CC=C([N+]([O-])=O)C=C1
Description
Methyl 4-nitrobenzoate is a bench-stable, electron-deficient ester featuring a para-nitro group that enhances reactivity in nucleophilic aromatic substitution. This compound integrates readily into synthetic sequences requiring activated aryl systems and serves as a key intermediate in pharmaceutical and agrochemical development.
Application
Methyl 4-nitrobenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic intermediates. Its nitro group facilitates subsequent reductions to aniline derivatives, while the ester moiety supports selective transformations such as hydrolysis or nucleophilic acyl substitution. The compound exhibits excellent bench stability and simplifies purification due to its crystalline nature, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.
Synthesis
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Route1
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67-56-1 -
In-stock
555-16-8 - ~96%
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In-stock
619-50-1
References
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Kiran; Ikeda, Reiko; Sakai, Norio; Konakahara, Takeo Synthesis, 2010 , # 2 art. no. F16609SS, p. 276 - 282
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Route2
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67-56-1
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In-stock
619-73-8 - ~94%
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In-stock
619-50-1
References
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Nobuta, Tomoya; Fujiya, Akitoshi; Hirashima, Shin-Ichi; Tada, Norihiro; Miura, Tsuyoshi; Itoh, Akichika Tetrahedron Letters, 2012 , vol. 53, # 39 p. 5306 - 5308
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Route3
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681-84-5
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In-stock
555-16-8
- ~96%
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In-stock
619-50-1
References
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Lerebours, Rachel; Wolf, Christian Journal of the American Chemical Society, 2006 , vol. 128, # 40 p. 13052 - 13053
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Safety Information
Download SDS|
GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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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 : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 69.44
- LogP 1.3814
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 2
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