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

Name
2H-1,4-Benzoxazin-3(4H)-one
EINECS
CAS No. 5466-88-6
Article Data95
CAS DataBase
Density 1.245 g/cm³
Solubility
Melting Point 172-176 °C
Formula C₈H₇NO₂
Boiling Point 337.728 °C at 760 mmHg
Molecular Weight 149.149
Flash Point 158.052 °C
Transport Information
Appearance white to almost white crystalline powder
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine;2H-1,4-Benzoxazin-3-one;2H-Benzo[b][1,4]oxazin-3(4H)-one;3,4-Dihydro-1,4-benzoxazin-3(2H)-one;3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine;4H-Benzo[1,4]oxazin-3-one;NSC 26354;
PSA 38.33000
LogP 1.15550

Synthetic route

: 35368-68-4
(2-chloro-phenoxy)-acetic acid amide

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); caesium carbonate In 1,4-dioxane at 110℃; for 2h; Schlenk technique; Inert atmosphere; chemoselective reaction;	99%

: 598-42-5
glycolamide

: 95-50-1
1,2-dichloro-benzene

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With copper acetylacetonate; sodium hydroxide; N,N`-dimethylethylenediamine In dichloromethane; N,N-dimethyl-formamide at 60℃; for 5h; Reagent/catalyst;	97.6%

: 533-58-4
2-Iodophenol

: 79-07-2
Chloroacetamide

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate In 1,4-dioxane at 90℃; for 24h; Inert atmosphere;	95%

: 67-56-1
methanol

: 56836-51-2
ethyl (2-hydroxyphenyl)carbamate

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With silica gel; potassium nitrate for 0.333333h; Reagent/catalyst; Concentration; Microwave irradiation;	93.6%

: 79-04-9
chloroacetyl chloride

: 95-55-6
2-amino-phenol

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water for 4h; Reflux;	93%
With potassium carbonate In acetonitrile for 20h; Reflux;	92.7%
With sodium hydrogencarbonate; N-benzyl-N,N,N-triethylammonium chloride In chloroform 1.) 1 h, 0-5 deg C, 2.) 5 h, 55 deg C;	89%

: 31507-30-9
2-(2-nitrophenoxy)acetonitrile

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With iron; acetic acid for 2.5h; Inert atmosphere; Reflux;	93%
With samarium; titanium tetrachloride In tetrahydrofuran at 20℃; for 0.166667h; reductive cyclization;	70%
With iron; acetic acid for 2h; Reflux;

: 108-10-1
4-methyl-2-pentanone

: 95-55-6
2-amino-phenol

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water at 0℃; Reflux;	93%

: 37682-31-8
ethyl o-nitrophenoxyacetate

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With iron; acetic acid at 0℃; for 7h; Inert atmosphere; Reflux;	91%
With iron In acetic acid at 0℃; for 7h; Inert atmosphere; Reflux;	91%
With iron In acetic acid at 0 - 20℃; for 2h; Reflux;	74%

: 10147-68-9
N-(2-hydroxyphenyl)-2-chloroacetamide

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 10h; Reflux;	88%
With potassium carbonate In ethyl acetate at 20℃; for 10h;	84%
With alkali
With potassium carbonate In tetrahydrofuran for 2h; Reflux; Inert atmosphere;	64.8 g
With potassium tert-butylate In dichloromethane; isopropyl alcohol at 0 - 20℃; for 1h;

: 105-36-2
ethyl bromoacetate

: 95-55-6
2-amino-phenol

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene; 1-octyl-3-methylimidazolium tetrafluoroborate at 20℃; for 1h; chemoselective reaction;	86%
Stage #1: ethyl bromoacetate; 2-amino-phenol With potassium fluoride In N,N-dimethyl-formamide at 60℃; Stage #2: With hydrogen; palladium on activated charcoal In ethanol at 60℃; under 7600 Torr;	64%

: 7506-93-6
2-(2-nitrophenoxy)-acetic acid methyl ester

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With samarium; titanium tetrachloride In tetrahydrofuran at 20℃; for 0.166667h; reductive cyclization;	75%
With iron In acetic acid at 80℃; for 1h;

: 24036-52-0
6-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-one

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; cesium acetate; isopropyl alcohol at 100℃; Schlenk technique; Inert atmosphere;	72%
With [RhCl2(p-cymene)]2; cesium acetate In isopropyl alcohol at 20 - 100℃; for 24h; Inert atmosphere;	72%

: 79-07-2
Chloroacetamide

o-halophenol: o-halophenol

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With potassium carbonate In ethanol for 3h; Heating;	70%

: N-(acetoxy)-2-phenoxyacetamide

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With polyphophoric acid at 65℃; for 2h; Reagent/catalyst; Temperature;	56%

: 598-21-0
2-Bromoacetyl bromide

: 95-55-6
2-amino-phenol

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
Stage #1: 2-amino-phenol With potassium carbonate In dichloromethane at 0℃; for 0.5h; Stage #2: 2-Bromoacetyl bromide In dichloromethane at 20℃; for 4h;	55%

: N-(benzoyloxy)-2-phenoxyacetamide

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With polyphophoric acid at 60℃; for 2h; Reagent/catalyst; Temperature;	52%

: 1232133-30-0
(E)-3-benzylidene-4-tosyl-3,4-dihydro-2H-1,4-benzoxazine

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With naphthalene; sodium In tetrahydrofuran at -65℃; for 0.333333h; stereoselective reaction;	50%

: 139503-05-2
6-chloromethyl-4-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazine

: 13426-94-3
N-methylbenzylamine hydrochloride

: 79-04-9
chloroacetyl chloride

: 95-55-6
2-amino-phenol

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With sodium hydrogencarbonate; potassium carbonate In diethyl ether; hexane; chloroform	32%

...Expand

: 13212-63-0
6-chloro-4-hydroxy-(2H)-1,4-benzoxazin-3(4H)-one

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal	30%

: 138035-65-1
7-chloro-4-hydroxy-2H-1,4-benzoxazin-3(4H)-one

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal	30%

: 46120-83-6
2-phenoxyacetohydroxamic acid

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With iron(III) chloride In nitromethane at 60℃; for 2h; Reagent/catalyst; Temperature;	30%
Multi-step reaction with 2 steps 1: triethylamine / chloroform / 2 h / 0 - 20 °C 2: polyphophoric acid / 2 h / 60 °C View Scheme
Multi-step reaction with 2 steps 1: dmap / 3 h / 20 °C 2: polyphophoric acid / 2 h / 65 °C View Scheme

: 10147-68-9
N-(2-hydroxyphenyl)-2-chloroacetamide

: furan-2,3,5(4H)-trione pyridine (1:1)

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 1878-87-1
2-nitrophenoxyacetic acid

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With sodium hydroxide; iron(II) sulfate
With iron; acetic acid
With ethanol; platinum Hydrogenation;

: 55860-22-5
2-chloro-N-(2-methoxyphenyl)acetamide

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With aluminium trichloride at 180℃; folgendes Behandeln mit wss. NaOH;

: 1798-12-5
2-acetamidophenoxyacetic acid

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With hydrogenchloride

: 859942-82-8
2-azidocarbonylmethoxy-benzoyl azide

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With hydrogenchloride

: 95-55-6
2-amino-phenol

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With sodium; toluene anschliessend Erwaermen mit Chloressigsaeure-aethylester;
Multi-step reaction with 2 steps 1: Na2CO3 / CHCl3 / 3 h / Ambient temperature 2: K2CO3 / dimethylformamide / 3 h / 80 °C View Scheme
Multi-step reaction with 2 steps 1: benzene 2: alkali View Scheme

: 29603-66-5
6β-[2-(2-nitro-phenoxy)-acetylamino]-penicillanic acid

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With hydrogen; palladium In water

: 14183-51-8
2H-1,4-benzoxazin-3(4H)-thione

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
With hydrogenchloride

: 69884-05-5
4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

Conditions

Conditions	Yield
(i) AcCl, NaHCO3, CH2Cl2, (ii) PhOH; Multistep reaction;

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 108-24-7
acetic anhydride

: 33252-96-9
4-acetoxy-(2H)-1,4-benzoxazin-3(4H)-one

Conditions

Conditions	Yield
With pyridine for 12h;	100%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 24424-99-5
di-tert-butyl dicarbonate

: 221049-50-9
tert-butyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-4-carboxylate

Conditions

Conditions	Yield
With dmap In acetonitrile at 20℃; for 48h;	99%
With dmap In tetrahydrofuran Ambient temperature;	96%
With dmap In tetrahydrofuran at 20℃; Acylation;	96%
With dmap In tetrahydrofuran at 20℃; for 3h; Acylation;	96%
With dmap In acetonitrile for 4h;

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 7623-09-8
2-chloropropionyl chloride

: 293741-63-6
6-(2-chloropropanoyl)-2H-1,4-benzoxazin-3(4H)-one

Conditions

Conditions	Yield
With aluminum (III) chloride In 1,2-dichloro-ethane at 20℃; for 12h;	99%

: 35166-37-1
3-chloromethyl-5-methylisoxazole

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 4-((5-methylisoxazol-3-yl)methyl)-2H-benzo[b][1,4]oxazin-3(4H)-one

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 18h; Heating;	99%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 5735-53-5
1,4-benzoxazine

Conditions

Conditions	Yield
With [RuCl2(N-heterocyclic carbene)(bis[2-(diphenylphosphino)ethyl]amine)]; hydrogen; caesium carbonate In toluene; butan-1-ol at 120℃; under 22502.3 Torr; for 6h; Schlenk technique; Autoclave;	98%
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 2h; Inert atmosphere;	92%
Stage #1: 3,4-dihydro-3-oxo-2H-1,4-benzoxazine With lithium aluminium tetrahydride In tetrahydrofuran Heating / reflux; Stage #2: With sodium hydroxide; water In tetrahydrofuran	79%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 105-36-2
ethyl bromoacetate

: 26673-71-2
ethyl 2-(3-oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)acetate

Conditions

Conditions	Yield
Stage #1: 3,4-dihydro-3-oxo-2H-1,4-benzoxazine With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: ethyl bromoacetate In N,N-dimethyl-formamide at 90℃;	98%
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 3h;	85%
With potassium carbonate In methanol for 4h; Heating;	77.4%
With sodium hydride In N,N-dimethyl-formamide Ambient temperature;	30%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 12h;

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 1885-14-9
phenyl chloroformate

: 680971-62-4
phenyl 2,3-dihydro-4H-1,4-benzoxazin-3-one-4-carboxylate

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran at -78℃;	98%
Stage #1: 3,4-dihydro-3-oxo-2H-1,4-benzoxazine With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: phenyl chloroformate In tetrahydrofuran; hexane at 20℃; for 2h;

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 109-70-6
1,3-chlorobromopropane

: 73733-78-5
4-(3-chloropropyl)-2H-1,4-benzoxazin-3(4H)-one

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 60h;	97%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 539-74-2
Ethyl 3-bromopropionate

: 23866-14-0
ethyl 3-(3-oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)propanoate

Conditions

Conditions	Yield
Stage #1: 3,4-dihydro-3-oxo-2H-1,4-benzoxazine With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: Ethyl 3-bromopropionate In N,N-dimethyl-formamide at 90℃;	95%
With potassium carbonate In N,N-dimethyl-formamide for 18h; Heating;	91%
With sodium hydride In N,N-dimethyl-formamide at 20℃; for 3h;	45%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 555-16-8
4-nitrobenzaldehdye

: 2-[(4-nitrophenyl)methylene]-2H-1,4-benzoxazin-3(4H)-one

Conditions

Conditions	Yield
With acetic anhydride; triethylamine for 7h; Heating;	94%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

MeX: MeX

: 21744-84-3
4-methyl-4H-benzo[1,4]oxazin-3-one

Conditions

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate In acetonitrile at 60℃;	94%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 2032-35-1
Bromoacetaldehyde diethyl acetal

: 1407395-24-7
4-(2,2-diethoxyethyl)-1,4-benzoxazin-3-one

Conditions

Conditions	Yield
Stage #1: 3,4-dihydro-3-oxo-2H-1,4-benzoxazine With potassium tert-butylate In N,N-dimethyl acetamide at 20℃; for 0.0833333h; Stage #2: Bromoacetaldehyde diethyl acetal With tetra-(n-butyl)ammonium iodide In N,N-dimethyl acetamide at 80℃; for 2h;	93.7%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 39178-35-3
isonicotinoyl chloride hydrochloride

: 1399854-48-8
6-(1-pyridin-4-ylmethanoyl)-4H-benzo[1,4]oxazine-3-one hydrochloride

Conditions

Conditions	Yield
With aluminum (III) chloride In N,N-dimethyl-formamide at 85℃; Friedel-Crafts Acylation; Inert atmosphere;	93%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 106-96-7
propargyl bromide

: 37988-92-4
4-(prop-2-yn-1-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one

Conditions

Conditions	Yield
With potassium carbonate In acetone for 5h; Heating;	92%
With tetra-(n-butyl)ammonium iodide; potassium carbonate In N,N-dimethyl-formamide at 20℃; for 3h; Cooling with ice;	92%
With potassium carbonate In acetone; toluene Reflux;	75%
With potassium tert-butylate 1.) DMF, RT, 10 min, 2.) RT, 30 min; Yield given. Multistep reaction;
With potassium carbonate In acetone Inert atmosphere; Reflux;

: 110-52-1
1,4-dibromo-butane

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 116936-86-8
4-(4-Bromobutan-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-3(4H)-one

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetonitrile at 100℃;	92%
Stage #1: 3,4-dihydro-3-oxo-2H-1,4-benzoxazine With sodium hydride In N,N-dimethyl-formamide; mineral oil at 30℃; for 1h; Cooling with ice; Stage #2: 1,4-dibromo-butane In N,N-dimethyl-formamide; mineral oil at 30℃;	86%
With aluminum oxide; potassium fluoride; potassium iodide In acetonitrile for 5h; Substitution; alkylation; Heating;

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 79-04-9
chloroacetyl chloride

: 26518-76-3
6-(chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane for 5.16h; Cooling with ice; Reflux;	91%
With aluminium trichloride In dichloromethane at 20℃; for 12h; Friedel-Crafts reaction;	87.7%
With aluminium trichloride In dichloromethane	86%
With aluminium trichloride
With aluminium trichloride In dichloromethane

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 14183-51-8
2H-1,4-benzoxazin-3(4H)-thione

Conditions

Conditions	Yield
With Lawessons reagent In tetrahydrofuran for 24h; Ambient temperature;	91%
With tetraphosphorus decasulfide; triethylamine In acetonitrile	90%
With tetraphosphorus decasulfide; N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate In 1,2-dichloro-ethane Heating;	90%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 52191-15-8
4-(2-bromoethyloxy)benzaldehyde

: (+/-) 4-[2-(3-Oxo-2H-1,4-benzoxazin-4-yl)ethoxy]benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 10h;	91%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

pet: pet

: 52191-15-8
4-(2-bromoethyloxy)benzaldehyde

: (+/-) 4-[2-(3-Oxo-2H-1,4-benzoxazin-4-yl)ethoxy]benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In water; ethyl acetate; N,N-dimethyl-formamide	91%

...Expand

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 74-88-4
methyl iodide

: 21744-84-3
4-methyl-4H-benzo[1,4]oxazin-3-one

Conditions

Conditions	Yield
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; silica gel In acetonitrile for 0.133333h; Irradiation;	90%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 2h;	78.12%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 2h;	78.12%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 5437-45-6
Benzyl bromoacetate

: benzyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 60℃; for 36h; Reflux;	90%

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 7148-74-5
2-Bromopropionyl chloride

: 58819-99-1
6-(2-bromopropanoyl)-2H-1,4-benzoxazin-3(4H)-one

Conditions

Conditions	Yield
With aluminum (III) chloride In 1,2-dichloro-ethane at 20℃; for 12h;	89%

2H-1,4-Benzoxazin-3(4H)-one Chemical Properties

Molecular Structure of 2H-1,4-Benzoxazin-3(4H)-one (CAS NO.5466-88-6):

IUPAC Name: 4H-1,4-benzoxazin-3-one
Empirical Formula: C₈H₇NO₂
Molecular Weight: 149.1467
InChI
InChI=1/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
Smiles
N1C(=O)COc2c1cccc2
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 29.54 Å²
Index of Refraction: 1.562
Molar Refractivity: 38.89 cm³
Molar Volume: 119.8 cm³
Surface Tension: 42.6 dyne/cm
Density: 1.244 g/cm³
Flash Point: 158.1 °C
Melting Point: 173-175 °C(lit.)
Enthalpy of Vaporization: 58.1 kJ/mol
Boiling Point: 337.7 °C at 760 mmHg
Vapour Pressure: 0.000103 mmHg at 25°C
Product Categories: Miscellaneous; pharmacetical; API intermediates; Benzoxazines; Building Blocks; Heterocyclic Building Blocks

2H-1,4-Benzoxazin-3(4H)-one Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
HazardClass: IRRITANT

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

2H-1,4-Benzoxazin-3(4H)-one , with CAS number of 5466-88-6, can be called Benzo[b]morpholin-3-one ; aurora ka-5421;4h-benzo[1,4]oxazin-3-one ; 4-aza-3-chromanone ; 2h-1,4-benzoxazin-3(4h)-one ; 2h-1,4-benzoxazine-3(4h)-one ; 2h-benzo[b][1,4]oxazin-3(4h)-one ; otava-bb bb7020041238 .It is a white to almost white crystalline powder.

Product Name

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

Synthetic route

2H-1,4-Benzoxazin-3(4H)-one Chemical Properties

2H-1,4-Benzoxazin-3(4H)-one Safety Profile

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

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