Methyl 3,5-diaminobenzoate

Name: Methyl 3,5-diaminobenzoate
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CAS No. 1949-55-9
Cat. No. CS-0149002
Purity≥96%
MDL No.MFCD00041433

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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+

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Structure of 1949-55-9

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Description

Methyl 3,5-diaminobenzoate features two amino groups positioned meta to each other on a methyl ester-substituted benzene ring. This electron-rich scaffold enables direct incorporation into peptide-like architectures and facilitates conjugation workflows under mild conditions. The compound exhibits enhanced solubility in polar organic solvents and stability during standard synthetic manipulations.

Application

Methyl 3,5-diaminobenzoate serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted benzimidazoles, benzoxazoles, and other heterocyclic scaffolds via condensation and cyclization reactions. Its two strategically positioned amino groups facilitate selective functionalization and orthogonally protected derivatization, while the methyl ester group supports facile hydrolysis or coupling reactions. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis workflows in API development.

General Information

CAS No. 1949-55-9
Cat. No. CS-0149002
Purity ≥96%
MDL No. MFCD00041433
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₀N₂O₂
Molecular Weight 166.18
Synonym(s) None
SMILES O=C(OC)C1=CC(N)=CC(N)=C1

Computational Chemistry Data

TPSA 78.34
LogP 0.6376
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 1

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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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 3,5-diaminobenzoate

CAS No. 1949-55-9

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