Methyl 3,4,5-trimethoxybenzoate

CAS No. 1916-07-0
Cat. No. CS-0018534
Purity≥98%
MDL No.MFCD00008431

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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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Methyl 3,4,5-trimethoxybenzoate|CS-0018534

Structure of 1916-07-0

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Description

Methyl 3,4,5-trimethoxybenzoate features three methoxy groups positioned ortho to one another on the aromatic ring, enhancing solubility and stability. This electron-rich scaffold serves as a key intermediate in medicinal chemistry, facilitating efficient coupling reactions under standard conditions. The ester functionality enables straightforward derivatization, while the trimethoxy pattern provides steric and electronic modulation for targeted molecular design.

Application

Methyl 3,4,5-trimethoxybenzoate serves as a versatile building block in medicinal chemistry and natural product synthesis, offering enhanced solubility and metabolic stability due to its three methoxy groups. The ester functionality enables straightforward derivatization via hydrolysis or transesterification, while the ortho-methoxy substitution pattern provides steric and electronic modulation for downstream coupling reactions. Its bench-stable nature and compatibility with common synthetic protocols make it a practical choice for constructing complex aromatic scaffolds.

General Information

CAS No. 1916-07-0
Cat. No. CS-0018534
Purity ≥98%
MDL No. MFCD00008431
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₄O₅
Molecular Weight None
Synonym(s) None
SMILES O=C(OC)C1=CC(OC)=C(OC)C(OC)=C1

Computational Chemistry Data

TPSA 53.99
LogP 1.499
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 4

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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Other Classifications

Bioactive Molecules Natural Products

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3,4,5-trimethoxybenzoate

CAS No. 1916-07-0

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