Lot numbers can be found on the outside label of a product:
6-Bromophthalazinone
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CAS No. 75884-70-7
- Cat. No. CS-W008890
- Purity≥95%
- MDL No.MFCD09264003
*For research and further manufacturing use only, not for direct human use.
Structure of 75884-70-7
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General Information
- CAS No. 75884-70-7
- Cat. No. CS-W008890
- Purity ≥95%
- MDL No. MFCD09264003
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₅BrN₂O
- Molecular Weight 225.04
- Synonym(s) Bromophthalazin-1(2H)-one, 6-
- SMILES O=C1NN=CC2=C1C=CC(Br)=C2
Description
6-Bromophthalazinone features a bromine substituent at the 6-position of the phthalazinone core, enabling direct functionalization in cross-coupling reactions. The electron-deficient heterocycle facilitates nucleophilic substitution and serves as a key scaffold for medicinal chemistry applications.
Application
6-Bromophthalazinone serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings. Its bromine substituent offers high reactivity and compatibility with standard coupling conditions, while the phthalazinone core provides structural rigidity and hydrogen-bonding capacity useful in drug discovery. The compound exhibits excellent bench stability, ease of purification, and functional group tolerance, making it well-suited for iterative synthesis of complex heterocyclic scaffolds and API intermediates.
Synthesis
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Route1
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102126-71-6 - ~84%
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In-stock
75884-70-7
References
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US2007/3539 A1, ; Page/Page column 105 ; US 20070003539 A1
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Route2
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573675-39-5 - ~48%
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In-stock
75884-70-7
References
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WO2008/61108 A2, ; Page/Page column 55 ;
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Route3
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In-stock
6941-75-9 - ~%
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In-stock
75884-70-7
References
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Journal of Medicinal Chemistry, , vol. 49, # 13 p. 3753 - 3756
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H315-H319-H335
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Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 45.75
- LogP 1.6856
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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