4-Amino-2,5-dimethylbenzoic acid

Name: 4-Amino-2,5-dimethylbenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 21339-73-1
Cat. No. CS-0061169
Purity≥97%
MDL No.None

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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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4-Amino-2,5-dimethylbenzoic acid|CS-0061169

Structure of 21339-73-1

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General Information

CAS No. 21339-73-1
Cat. No. CS-0061169
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₁NO₂
Molecular Weight 165.19
Synonym(s) 2,5-DiMethyl-4-aMinobenzoic acid
SMILES CC1=C(C=C(C)C(=C1)N)C(=O)O

Description

4-Amino-2,5-dimethylbenzoic acid features a conjugated aromatic core with complementary electron-donating amino and methyl groups, enhancing solubility and reactivity. This bench-stable derivative integrates readily into synthetic routes for bioactive molecules, offering directional control in functionalized arene derivatization.

Application

4-Amino-2,5-dimethylbenzoic acid serves as a versatile building block for bioactive heterocycles and pharmaceutical intermediates. Its ortho-dimethyl substitution enhances metabolic stability, while the amino and carboxylic acid groups enable diverse transformations—facilitating amidation, esterification, and coupling reactions. The compound exhibits good bench stability and is readily purified by recrystallization, supporting efficient integration into multi-step synthetic sequences.

Synthesis

Route1
- 21339-72-0
- ~%
- In-stock
  
  21339-73-1
References
- Wyeth Patent: US2009/69373 A1, 2009 ; Location in patent: Page/Page column 24 ; US 20090069373 A1

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

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Computational Chemistry Data

TPSA 63.32
LogP 1.58384
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

Key Words

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4-Amino-2,5-dimethylbenzoic acid

CAS No. 21339-73-1

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