Methyl 4-cyano-3-hydroxybenzoate

Name: Methyl 4-cyano-3-hydroxybenzoate
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CAS No. 6520-87-2
Cat. No. CS-0136184
Purity≥96%
MDL No.MFCD09836734

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 4-cyano-3-hydroxybenzoate|CS-0136184

Structure of 6520-87-2

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Description

Methyl 4-cyano-3-hydroxybenzoate features a strategically positioned cyano group and hydroxyl moiety on a methyl benzoate scaffold, enabling direct integration into synthetic routes requiring dual functional handles. The electron-withdrawing nitrile enhances reactivity at the aromatic ring, while the phenolic OH supports hydrogen bonding and derivatization. This compound serves as a key intermediate in pharmaceutical and agrochemical synthesis, offering robust stability under standard conditions.

Application

Methyl 4-cyano-3-hydroxybenzoate serves as a versatile building block in medicinal chemistry and synthetic organic research. The molecule combines a phenolic hydroxyl group, a nitrile function, and an ester moiety—each offering orthogonal reactivity for selective derivatization. It facilitates efficient access to substituted benzimidazoles, heterocycles, and bioactive scaffolds via standard coupling, cyclization, and reduction protocols. Bench-stable and readily purified by recrystallization, it supports scalable synthesis workflows.

General Information

CAS No. 6520-87-2
Cat. No. CS-0136184
Purity ≥96%
MDL No. MFCD09836734
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇NO₃
Molecular Weight 177.16
Synonym(s) Benzoic acid, 4-cyano-3-hydroxy-, methyl ester
SMILES O=C(OC)C1=CC=C(C#N)C(O)=C1

Computational Chemistry Data

TPSA 70.32
LogP 1.05048
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-cyano-3-hydroxybenzoate

CAS No. 6520-87-2

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