Methyl 3-(hydroxymethyl)-4-nitrobenzoate

Name: Methyl 3-(hydroxymethyl)-4-nitrobenzoate
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CAS No. 201932-92-5
Cat. No. CS-0043176
Purity≥98%
MDL No.None

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Methyl 3-(hydroxymethyl)-4-nitrobenzoate|CS-0043176

Structure of 201932-92-5

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General Information

CAS No. 201932-92-5
Cat. No. CS-0043176
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉NO₅
Molecular Weight 211.17
Synonym(s) Benzoic acid, 3-(hydroxymethyl)-4-nitro-, methyl ester
SMILES O=C(OC)C1=CC=C([N+]([O-])=O)C(CO)=C1

Description

Methyl 3-(hydroxymethyl)-4-nitrobenzoate features a nitro group at the para position and a hydroxymethyl substituent at the meta position relative to the ester, providing dual functional handles for downstream derivatization. This bench-stable compound integrates readily into synthetic sequences requiring electron-deficient aromatic intermediates with orthogonal reactivity.

Application

Methyl 3-(hydroxymethyl)-4-nitrobenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzene derivatives. The nitro group facilitates electrophilic substitution and subsequent reduction to an amine, while the hydroxymethyl function supports oxidation to carboxylic acid or ether formation. Its methyl ester moiety permits selective transformations, and the molecule exhibits good bench stability and ease of purification, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
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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Computational Chemistry Data

TPSA 89.67
LogP 0.8737
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3-(hydroxymethyl)-4-nitrobenzoate

CAS No. 201932-92-5

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