Lot numbers can be found on the outside label of a product:
7-Bromo-3,4-dihydroquinazolin-4-one
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CAS No. 194851-16-6
- Cat. No. CS-W008741
- Purity≥97%
- MDL No.MFCD07838323
*For research and further manufacturing use only, not for direct human use.
Structure of 194851-16-6
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General Information
- CAS No. 194851-16-6
- Cat. No. CS-W008741
- Purity ≥97%
- MDL No. MFCD07838323
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₅BrN₂O
- Molecular Weight 225.04
- Synonym(s) 7-Bromo-4(3H)-quinazolinone; 7-Bromo-3,4-dihydroquinazolin-4-one; 7-Bromo-3H-quinazolin-4-one; 7-Bromoquinazolin-4(1H)-one; 7-Bromoquinazolin-4(3H)-one; 7-BroMoquinazolin-4-one
- SMILES O=C1N=CNC2=CC(Br)=CC=C12
Description
7-Bromo-3,4-dihydroquinazolin-4-one is a brominated dihydroquinazolinone scaffold featuring a reactive ketone and electron-deficient aromatic core. This compound integrates readily into medicinal chemistry campaigns, serving as a key intermediate for kinase inhibitors and targeted therapeutics. Its bench-stable nature supports efficient derivatization under standard conditions.
Application
7-Bromo-3,4-dihydroquinazolin-4-one serves as a versatile building block in medicinal chemistry, enabling efficient access to quinazoline-based scaffolds. Its bromine substituent facilitates palladium-catalyzed cross-coupling reactions, while the cyclic amide functionality offers stability and compatibility with diverse reaction conditions. The compound exhibits excellent bench stability and simplifies purification, making it well-suited for iterative synthesis and scale-up applications.
Synthesis
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Route1
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In-stock
112253-70-0 -
122-51-0 - ~73%
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In-stock
194851-16-6
References
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KUDOS PHARMACEUTICALS LIMITED Patent: WO2008/23161 A1, 2008 ; Location in patent: Page/Page column 119-120 ; WO 2008/023161 A1
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Route2
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In-stock
20776-50-5 -
77287-34-4
- ~86%
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In-stock
194851-16-6
References
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MERCK PATENT GMBH; Mederski, Werner; Fuchss, Thomas; Zenke, Frank Patent: US2013/12489 A1, 2013 ; Location in patent: Paragraph 0182 ;
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Route3
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In-stock
112253-70-0
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109-94-4
- ~82%
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In-stock
194851-16-6
References
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Kitano, Yasunori; Kawahara, Eiji; Suzuki, Tsuyoshi; Abe, Daisuke; Nakajou, Masahiro; Ueda, Naoko Patent: US2004/116422 A1, 2004 ; Location in patent: Page/Page column 32 ;
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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 : H302-H315-H319-H335
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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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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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