Methyl 3,4-diaminobenzoate

Name: Methyl 3,4-diaminobenzoate
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CAS No. 36692-49-6
Cat. No. CS-W007431
Purity≥98%
MDL No.MFCD00017098

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 36692-49-6

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Description

Methyl 3,4-diaminobenzoate features two amino groups positioned ortho to each other on the aromatic ring, enabling strong coordination in metal complexes and enhancing solubility in polar solvents. This derivative serves as a key intermediate in pharmaceutical synthesis, where its dual amine functionality supports diverse coupling reactions.

Application

Methyl 3,4-diaminobenzoate serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted benzimidazoles and other heterocyclic scaffolds via cyclization reactions. Its dual amine functionalities offer orthogonal reactivity for selective derivatization, while the ester group facilitates downstream transformations. The compound exhibits good bench stability and is readily purified by recrystallization or chromatography, making it well-suited for use in multi-step synthetic sequences targeting bioactive molecules.

General Information

CAS No. 36692-49-6
Cat. No. CS-W007431
Purity ≥98%
MDL No. MFCD00017098
Storage RT, sealed storage, away from moisture and light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₀N₂O₂
Molecular Weight 166.18
Synonym(s) None
SMILES COC(C1=CC(N)=C(N)C=C1)=O

Computational Chemistry Data

TPSA 78.34
LogP 0.6376
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3,4-diaminobenzoate

CAS No. 36692-49-6

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