4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl)

Modify Date: 2025-09-20 19:30:11

4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl) Structure
4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl) structure
Common Name 4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl)
CAS Number 16063-03-9 Molecular Weight 268.22400
Density 1.43g/cm3 Boiling Point 421.7ºC at 760mmHg
Molecular Formula C14H8N2O4 Melting Point N/A
MSDS N/A Flash Point 208.8ºC

 Names

Name 2-(3-nitrophenyl)-3,1-benzoxazin-4-one

 Chemical & Physical Properties

Density 1.43g/cm3
Boiling Point 421.7ºC at 760mmHg
Molecular Formula C14H8N2O4
Molecular Weight 268.22400
Flash Point 208.8ºC
Exact Mass 268.04800
PSA 88.92000
LogP 3.28640
Vapour Pressure 2.55E-07mmHg at 25°C
Index of Refraction 1.679
InChIKey WKYQIWUAPDQQRV-UHFFFAOYSA-N
SMILES O=c1oc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12

 Synthetic Route

~80%

4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl) Structure

4H-3,1-Benzoxaz...

CAS#:16063-03-9

Literature: Khajavi, Mohammad S.; Shariat, Seyed M. Heterocycles, 2005 , vol. 65, # 5 p. 1159 - 1165

~81%

4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl) Structure

4H-3,1-Benzoxaz...

CAS#:16063-03-9

Literature: Khan, Zulfiqar Ali; Naqvi, Syed Ali Raza; Shahzad, Sohail Anjum; Mahmood, Nasir; Yar, Muhammad; Zahoor, Ameer Fawad Asian Journal of Chemistry, 2013 , vol. 25, # 1 p. 152 - 156

~%

4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl) Structure

4H-3,1-Benzoxaz...

CAS#:16063-03-9

Literature: Bogert; Gortner; Amend Journal of the American Chemical Society, 1911 , vol. 33, p. 952

~%

4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl) Structure

4H-3,1-Benzoxaz...

CAS#:16063-03-9

Literature: Khajavi, Mohammad S.; Shariat, Seyed M. Heterocycles, 2005 , vol. 65, # 5 p. 1159 - 1165

~%

4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl) Structure

4H-3,1-Benzoxaz...

CAS#:16063-03-9

Literature: Papadopoulos, Eleftherios P.; Torres, Catherine D. Heterocycles, 1982 , vol. 19, # 6 p. 1039 - 1042

~%

4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl) Structure

4H-3,1-Benzoxaz...

CAS#:16063-03-9

Literature: Arcus; Marks Journal of the Chemical Society, 1956 , p. 1627,1632

 Bioassay

View more

Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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