EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2H-1,4-benzoxazin-3(4H)-one
2H-1,4-benzoxazin-3-one

Supplier Sponsors

CAS Number: 5466-88-6Picture of molecule3D/inchi
FDA UNII: Q0QAF5G662
Nikkaji Web:J81.041J
MDL:MFCD00158536
XlogP3-AA:0.90 (est)
Molecular Weight:149.14919000
Formula:C8 H7 N O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in:
 water, 400 mg/L @ 20 °C (exp)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2H-1,4-Benzoxazin-3(4H)-one
Santa Cruz Biotechnology
For experimental / research use only.
2H-1,4-Benzoxazin-3(4H)-one
Sigma-Aldrich: Aldrich
For experimental / research use only.
2H-1,4-Benzoxazin-3(4H)-one 99%
TCI AMERICA
For experimental / research use only.
2H-1,4-Benzoxazin-3(4H)-one >98.0%(GC)
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 2H-1,4-benzoxazin-3(4H)-one usage levels up to:
 not for fragrance use.
 
Recommendation for 2H-1,4-benzoxazin-3(4H)-one flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :72757
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4H-1,4-benzoxazin-3-one
Chemidplus:0005466886
RTECS:DM3270000 for cas# 5466-88-6
 
References:
 4H-1,4-benzoxazin-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):72757
Pubchem (cas):5466-88-6
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
FooDB:FDB007622
Export Tariff Code:2934.90.4000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 corn sprout
Search Trop Picture
 
Synonyms:
4.3-oxo-4H-benzo[1,4]oxazine
2H-1,4-benzoxazin-3-one
4H-1,4-benzoxazin-3-one
 

Articles:

PubMed:Using gene expression database to uncover biology functions of 1,4-disubstituted 1,2,3-triazole analogues synthesized via a copper (I)-catalyzed reaction.
PubMed:Melanogenesis inhibitors from Coix lacryma-jobi seeds in B16-F10 melanoma cells.
PubMed:Plant defense and herbivore counter-defense: benzoxazinoids and insect herbivores.
PubMed:Benzoxazinone-Mediated Triazine Degradation: A Proposed Reaction Mechanism.
PubMed:A New Neolignan from Coix lachryma-jobi var. mayuen.
PubMed:Synthesis and antifungal activity of 2H-1,4-benzoxazin-3(4H)-one derivatives.
PubMed:2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one (DIMBOA) inhibits trichothecene production by Fusarium graminearum through suppression of Tri6 expression.
PubMed:In vitro evaluation of the antioxidant and antimicrobial activity of DIMBOA [2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one].
PubMed:Plant-plant-microbe mechanisms involved in soil-borne disease suppression on a maize and pepper intercropping system.
PubMed:Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists.
PubMed:A new phenolic component from Triticum aestivum sprouts and its effects on LPS-stimulated production of nitric oxide and TNF-α in RAW 264.7 cells.
PubMed:In silico characterization of three two-component systems of Ehrlichia canis and evaluation of a natural plant-derived inhibitor.
PubMed:Benzoxazinoids from Scoparia dulcis (sweet broomweed) with antiproliferative activity against the DU-145 human prostate cancer cell line.
PubMed:Benzoxazinoids in root exudates of maize attract Pseudomonas putida to the rhizosphere.
PubMed:Study of the role played by NfsA, NfsB nitroreductase and NemA flavin reductase from Escherichia coli in the conversion of ethyl 2-(2'-nitrophenoxy)acetate to 4-hydroxy-(2H)-1,4-benzoxazin-3(4H)-one (D-DIBOA), a benzohydroxamic acid with interesting biological properties.
PubMed:Identification of benzoxazin-3-one derivatives as novel, potent, and selective nonsteroidal mineralocorticoid receptor antagonists.
PubMed:Is the basal area of maize internodes involved in borer resistance?
PubMed:Benzoxazinoid metabolites regulate innate immunity against aphids and fungi in maize.
PubMed:Acanmontanoside, a new phenylethanoid diglycoside from Acanthus montanus.
PubMed:Structure-activity relationship of benzoxazinones and related compounds with respect to the growth inhibition and alpha-amylase activity in cress seedlings.
PubMed:A novel glycoside from Acanthus hirsutus (Acanthaceae).
PubMed:Pharmacological characterization of olodaterol, a novel inhaled beta2-adrenoceptor agonist exerting a 24-hour-long duration of action in preclinical models.
PubMed:Fluconazole analogues containing 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moieties, a novel class of anti-Candida agents.
PubMed:Rediscovering the bioactivity and ecological role of 1,4-benzoxazinones.
PubMed:Aromatic-ring-functionalised benzoxazinones in the system Oryza sativa-Echinochloa crus-galli as biorational herbicide models.
PubMed:Species-specific glucosylation of DIMBOA in larvae of the rice Armyworm.
PubMed:Hydroxamic acids derived from 2-hydroxy-2H-1,4-benzoxazin-3(4H)-one: key defense chemicals of cereals.
PubMed:8-Chloro-4-cyclo-hexyl-2H-1,4-benzoxazin-3(4H)-one.
PubMed:7-Chloro-4-phenethyl-2H-1,4-benzoxazin-3(4H)-one.
PubMed:Activity of Hydroxamic Acids from Secale cereale Against the Plant-Parasitic Nematodes Meloidogyne incognita and Xiphinema americanum.
PubMed:Benzoxazinoid biosynthesis in dicot plants.
PubMed:Modified benzoxazinones in the system Oryza sativa-Echinochloa crus-galli: an approach to the development of biorational herbicide models.
PubMed:Novel 5-HT(1A/1B/1D) receptors antagonists with potent 5-HT reuptake inhibitory activity.
PubMed:Preparative isolation and purification of two benzoxazinoid glucosides from Acanthus ilicifolius L. by high-speed counter-current chromatography.
PubMed:Effects of four benzoxazinoids on gibberellin-induced alpha-amylase activity in barley seeds.
PubMed:Elucidation of the final reactions of DIMBOA-glucoside biosynthesis in maize: characterization of Bx6 and Bx7.
PubMed:6-Chloro-2H-1,4-benzoxazin-3(4H)-one.
PubMed:Synthesis of novel 7-benzylamino-2H-1,4-benzoxazin-3(4H)-ones as anticonvulsant agents.
PubMed:cis-Jasmone induces accumulation of defence compounds in wheat, Triticum aestivum.
PubMed:Characterization of the potent 5-HT(1A/B) receptor antagonist and serotonin reuptake inhibitor SB-649915: preclinical evidence for hastened onset of antidepressant/anxiolytic efficacy.
PubMed:Simultaneous blockade of 5-HT1A/B receptors and 5-HT transporters results in acute increases in extracellular 5-HT in both rats and guinea pigs: in vivo characterization of the novel 5-HT1A/B receptor antagonist/5-HT transport inhibitor SB-649915-B.
PubMed:New herbicide models from benzoxazinones: aromatic ring functionalization effects.
PubMed:Optimization of benzoxazinones as natural herbicide models by lipophilicity enhancement.
PubMed:SB-649915, a novel, potent 5-HT1A and 5-HT1B autoreceptor antagonist and 5-HT re-uptake inhibitor in native tissue.
PubMed:Structure-activity relationship (SAR) studies of benzoxazinones, their degradation products, and analogues. Phytotoxicity on problematic weeds Avena fatua L. and Lolium rigidum Gaud.
PubMed:Isolation and synthesis of allelochemicals from gramineae: benzoxazinones and related compounds.
PubMed:Effects of the benzoxazoid DIMBOA, selected degradation products, and structure-related pesticides on soil organisms.
PubMed:Hydroxamic acid content and toxicity of rye at selected growth stages.
PubMed:On the structural basis of the catalytic mechanism and the regulation of the alpha subunit of tryptophan synthase from Salmonella typhimurium and BX1 from maize, two evolutionarily related enzymes.
PubMed:The possible role of hydroxylation in the detoxification of atrazine in mature vetiver (Chrysopogon zizanioides Nash) grown in hydroponics.
PubMed:Structure-activity relationship studies of benzoxazinones and related compounds. Phytotoxicity on Echinochloa crus-galli (L.) P. Beauv.
PubMed:Evolution of the indole alkaloid biosynthesis in the genus Hordeum: distribution of gramine and DIBOA and isolation of the benzoxazinoid biosynthesis genes from Hordeum lechleri.
PubMed:Enantioseparation of 2-O-beta-D-glucopyranosyl-2H-1,4-benzoxazin-3(4H)-one and its 7-chloro-derivative by capillary zone electrophoresis using native and substituted beta-cyclodextrins as chiral additives.
PubMed:Detoxification and transcriptome response in Arabidopsis seedlings exposed to the allelochemical benzoxazolin-2(3H)-one.
PubMed:Degradation studies on benzoxazinoids. Soil degradation dynamics of (2R)-2-O-beta-D-glucopyranosyl-4-hydroxy-(2H)- 1,4-benzoxazin-3(4H)-one (DIBOA-Glc) and its degradation products, phytotoxic allelochemicals from Gramineae.
PubMed:Structure-Activity Relationships (SAR) studies of benzoxazinones, their degradation products and analogues. phytotoxicity on standard target species (STS).
PubMed:Chemical composition of corn leaf essential oils and their role in the oviposition behavior of Sesamia nonagrioides females.
PubMed:Differential exudation of two benzoxazinoids--one of the determining factors for seedling allelopathy of Triticeae species.
PubMed:Development of a liquid chromatography-electrospray mass spectrometric method for the simultaneous analysis of benzoxazolinones and their degradation products.
PubMed:Degradation studies on benzoxazinoids. Soil degradation dynamics of 2,4-dihydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one (DIMBOA) and its degradation products, phytotoxic allelochemicals from gramineae.
PubMed:Benzoxazinoids and iridoid glucosides from four Lamium species.
PubMed:Utilisation of electrospray time-of-flight mass spectrometry for solving complex fragmentation patterns: application to benzoxazinone derivatives.
PubMed:Antitumor agents. Part 218: Cappamensin A, a new In vitro anticancer principle, from Capparis sikkimensis.
PubMed:A mechanistic dehydration study with [2-(13)C]-DIMBOA.
PubMed:Megastigmane, aliphatic alcohol and benzoxazinoid glycosides from Acanthus ebracteatus.
PubMed:Benzoxazinoid glucosides from Acanthus ilicifolius.
PubMed:Simple method for large scale isolation of the cyclic arylhydroxamic acid DIMBOA from maize (Zea mays L.).
PubMed:Metabolism of 7-fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4- (2-propynyl)-2H-1,4-benzoxazin-3(4H)-one (S-53482, flumioxazin) in the rat: II. Identification of reduced metabolites.
PubMed:Metabolism of 7-fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4- (2-propynyl)-2H-1,4-benzoxazin-3(4H)-one (S-53482) in rat. 1. Identification of a sulfonic acid type conjugate.
PubMed:Chemistry of biologically active benzoxazinoids.
PubMed:[Chemistry of benzoxazinoids produced by plants as phytoalexin].
PubMed:Isolation and characterization of a cyclic hydroxamic acid from a pollen extract, which inhibits cancerous cell growth in vitro.
PubMed:Corn metabolites affect growth and virulence of Agrobacterium tumefaciens.
PubMed:Hydroxamic Acid glucosyltransferases from maize seedlings.
PubMed:Lipid lowering actions of 7-(2-methylene butyryl)-(2H)-1,4-benzoxazin-3-(4H)-one derivatives in mice, rats and Syrian hamsters.
PubMed:Identification of 1,4-Benzoxazin-3-ones in Maize Extracts by Gas-Liquid Chromatography and Mass Spectrometry.
PubMed:Factors That Influence the Activity of 2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one on Erwinia Species in Growth Assays.
PubMed:Decomposition of 2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one in Aqueous Solutions.
PubMed:2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one, an Inhibitor from Zea mays with Differential Activity against Soft Rotting Erwinia Species.
 
Notes:
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