457752
2-Methyl-4H-3,1-benzoxazin-4-one
98%
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About This Item
Empirical Formula (Hill Notation):
C9H7NO2
CAS Number:
Molecular Weight:
161.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
208-381-7
MDL number:
Assay:
98%
InChI key
WMQSKECCMQRJRX-UHFFFAOYSA-N
InChI
1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3
SMILES string
CC1=Nc2ccccc2C(=O)O1
assay
98%
mp
79-82 °C (lit.)
functional group
ester
Quality Level
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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A Simple Synthesis of 2-Substituted-4 H-3, 1-benzoxazin-4-ones by Palladium-Catalyzed Cyclocarbonylation of o-Iodoanilines with Acid Chlorides.
Chitchamai L and Alper H.
Organic Letters, 1(10), 1619-1622 (1999)
B Siedle et al.
Bioorganic & medicinal chemistry, 10(9), 2855-2861 (2002-07-12)
Human neutrophil elastase (HNE) is a serine protease that has been implicated in the abnormal turnover of connective tissue proteins and has been described as an important pathogenic factor in several inflammatory diseases such as rheumatoid arthritis or cystic fibrosis.
Reactivity of 4H-3,1-benzoxazin-4-ones towards nitrogen and carbon nucleophilic reagents: applications to the synthesis of new heterocycles.
Madkour HMF.
ARKIVOC (Gainesville, FL, United States), 1, 36-54 (2004)
L Hedstrom et al.
Biochemistry, 23(8), 1753-1759 (1984-04-10)
The benzoxazinones 2-ethoxy-4H-3,1- benzoxazin -4-one (1a) and 2-(trifluoromethyl)-4H-3,1- benzoxazin -4-one (1d) inactivate chymotrypsin. The inactivation is stoichiometric and proceeds with rate constants of 7 X 10(5) M-1 min-1 and greater than 4 X 10(6) M-1 min-1, respectively. The inactivated enzyme
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