6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one

Name: 6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one
Brand: ChemScene
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CAS No. 22246-12-4
Cat. No. CS-0018999
Purity≥98%
MDL No.MFCD04114865

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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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6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one|CS-0018999

Structure of 22246-12-4

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General Information

CAS No. 22246-12-4
Cat. No. CS-0018999
Purity ≥98%
MDL No. MFCD04114865
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁NO₂
Molecular Weight None
Synonym(s) 3,4-Dihydro-6-methoxy-1(2H)-isoquinolinone; 6-(Methyloxy)-3,4-dihydro-1(2H)-isoquinolinone; 6-Methoxy-3,4-dihydro-2H-isoquinolin-
SMILES O=C1NCCC2=C1C=CC(OC)=C2

Description

6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one features a fused heterocyclic core with a methoxy group at the 6-position, enhancing solubility and electronic modulation. This scaffold integrates readily into bioactive molecule design, offering stability under standard conditions and compatibility with diverse synthetic transformations.

Application

6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one serves as a versatile scaffold in medicinal chemistry, enabling efficient access to bioactive isoquinoline derivatives. Its bench-stable structure features a protected carbonyl and methoxy substituent that tolerate diverse transformations, including hydrogenation, electrophilic substitution, and palladium-catalyzed coupling. The functional group pattern supports modular synthesis of heterocyclic libraries and provides orthogonal reactivity for downstream derivatization.

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 38.33
LogP 0.9811
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Key Words

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6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one

CAS No. 22246-12-4

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