1,2-Benzisoxazol-6-amine

Name: 1,2-Benzisoxazol-6-amine
Brand: ChemScene
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CAS No. 828300-70-5
Cat. No. CS-W019725
Purity≥97%
MDL No.MFCD06659641

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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+
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General Information

CAS No. 828300-70-5
Cat. No. CS-W019725
Purity ≥97%
MDL No. MFCD06659641
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆N₂O
Molecular Weight None
Synonym(s) Benzo[D]isoxazol-6-amine
SMILES NC1=CC2=C(C=C1)C=NO2

Description

1,2-Benzisoxazol-6-amine features a fused heterocyclic core with a pendant amine group, enabling direct incorporation into pharmaceutical scaffolds. The electron-rich isoxazole ring enhances reactivity in coupling processes, while the amine functionality supports derivatization under mild conditions. This compound serves as a key building block for bioactive molecule synthesis.

Application

1,2-Benzisoxazol-6-amine serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to bioactive scaffolds through direct functionalization at the amine site. Its stability under standard reaction conditions and compatibility with diverse coupling protocols facilitate downstream derivatization. The fused isoxazole core provides enhanced metabolic resilience and defined spatial orientation, making it valuable for structure-activity studies and lead optimization in drug discovery programs.

Synthesis

Route1
- 39835-08-0
- ~54%
- In-stock
  
  828300-70-5
References
- Kikuchi, Kazuya; Hannak, Renate B.; Guo, Mao-Jun; Kirby, Anthony J.; Hilvert, Donald Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 18 p. 6189 - 6196

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 52.05
LogP 1.41
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzoisoxazole compounds

Key Words

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1,2-Benzisoxazol-6-amine

CAS No. 828300-70-5

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