3-Amino-2-methylbenzoic acid

Name: 3-Amino-2-methylbenzoic acid
Brand: ChemScene
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CAS No. 52130-17-3
Cat. No. CS-W018125
Purity≥98%
MDL No.MFCD00075026

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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 52130-17-3

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General Information

CAS No. 52130-17-3
Cat. No. CS-W018125
Purity ≥98%
MDL No. MFCD00075026
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₉NO₂
Molecular Weight 151.17
Synonym(s) 3-Amino-o-toluic Acid
SMILES O=C(O)C1=CC=CC(N)=C1C

Description

3-Amino-2-methylbenzoic acid features a strategically positioned amino group adjacent to a carboxylic acid, enabling direct conjugation in peptide mimetics and bioactive scaffolds. The methyl substituent enhances lipophilicity and metabolic stability, while the ortho-amino functionality facilitates metal chelation and coordination chemistry. This compound serves as a key building block for pharmaceutical intermediates and functional materials requiring precise electronic tuning.

Application

3-Amino-2-methylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-substituted structure provides enhanced stability and facilitates selective functionalization, while the carboxylic acid and primary amine groups offer complementary handles for coupling reactions, derivatization, and salt formation. The molecule exhibits good bench stability and compatibility with standard purification techniques, making it well-suited for iterative synthetic workflows in API development.

Synthesis

Route1
- In-stock
  
  1975-50-4
- ~95%
- In-stock
  
  52130-17-3
References
- Peixoto, Christophe; Laurin, Patrick; Klich, Michel; Dupuis-Hamelin, Claudine; Mauvais, Pascale; Lassaigne, Patrice; Bonnefoy, Alain; Musicki, Branislav Tetrahedron Letters, 2000 , vol. 41, # 11 p. 1741 - 1745

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 63.32
LogP 1.27542
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Peptide Chemistry Unnatural Amino Acid Derivatives

Chemical Biology Pharmaceutical Development and Drug Discovery Research Peptide Chemistry Amino Acid Derivatives

Chemical Biology Pharmaceutical Development and Drug Discovery Research Peptide Chemistry Unnatural Amino Acid Derivatives

Key Words

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3-Amino-2-methylbenzoic acid

CAS No. 52130-17-3

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