tert-Butyl ((7-bromo-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)carbamate

Name: tert-Butyl ((7-bromo-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)carbamate
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CAS No. 2629316-12-5
Cat. No. CS-0159747
Purity≥95%
MDL No.None

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tert-Butyl ((7-bromo-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)carbamate|CS-0159747

Structure of 2629316-12-5

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Description

tert-Butyl ((7-bromo-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)carbamate features a brominated phthalazinone core with a tert-butyl carbamate handle, enabling direct incorporation into medicinal chemistry scaffolds. The electron-deficient heterocycle supports transition metal-catalyzed coupling reactions, while the protected amine ensures stability during purification and storage under standard conditions.

Application

tert-Butyl ((7-bromo-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)carbamate serves as a stable, bench-ready building block for phthalazine-based medicinal chemistry. The bromo group enables palladium-catalyzed cross-coupling reactions, while the carbamate protects the primary amine under standard synthetic conditions. Its compatibility with diverse functional groups and ease of purification make it ideal for constructing complex heterocyclic scaffolds in API development workflows.

General Information

CAS No. 2629316-12-5
Cat. No. CS-0159747
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₆BrN₃O₃
Molecular Weight None
Synonym(s) None
SMILES O=C(NCC(C1=CC(Br)=CC=C21)=NNC2=O)OC(C)(C)C

Computational Chemistry Data

TPSA 84.08
LogP 2.7103
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 2

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

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Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Phthalazine compounds

Drug Discovery Cancer PRMT5

Key Words

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tert-Butyl ((7-bromo-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)carbamate

CAS No. 2629316-12-5

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