2,3-Dihydro-1H-quinolin-4-one supplier

Name
2,3-Dihydro-1H-quinolin-4-one
EINECS 275-428-6
CAS No. 4295-36-7
Article Data46
CAS DataBase
Density 1.142 g/cm³
Solubility
Melting Point 44 °C
Formula C₉H₉NO
Boiling Point 301 °C at 760 mmHg
Molecular Weight 147.177
Flash Point 142.8 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 4(1H)-Quinolone,2,3-dihydro- (6CI,7CI,8CI);1,2,3,4-Tetrahydro-4-quinolinone;1,2,3,4-Tetrahydro-4-quinolone;2,3-Dihydro-4(1H)-quinolinone;2,3-Dihydro-4(1H)-quinolone;2,3-Dihydroquinolin-4-one;
PSA 29.10000
LogP 1.82290

Synthetic route

: 5099-95-6
1-phenylazetidin-2-one

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In dichloromethane at 0 - 18℃; for 1h; Fries rearrangement; Inert atmosphere;	98%
With trifluorormethanesulfonic acid In 1,2-dichloro-ethane at 0 - 20℃; for 0.25h;	96%
With trifluorormethanesulfonic acid In 1,2-dichloro-ethane at 0 - 20℃; for 0.25h;	96%

: 179898-00-1
1-tert-butyloxycarbonyl-1,2,3,4-tetrahydro-4-quinolinone

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
In acetonitrile at 300℃; under 75007.5 Torr;	95%

: 3-(phenylsulfonyl)-2,3-dihydroquinolin-4(1H)-one

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In toluene at 130℃; for 3h; Inert atmosphere; Sealed tube;	90%

: 14278-37-6
1-tosyl-2,3-dihydroquinolin-4(1H)-one

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid for 3.5h; Heating;	83%
With hydrogenchloride; water; acetic acid

: 68165-36-6
1-(2-nitrophenyl)-2-propen-1-one

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
Stage #1: 1-(2-nitrophenyl)prop-2-en-1-one With hydrogenchloride at 80 - 85℃; Inert atmosphere; Stage #2: With iron at 100℃; for 1h; Inert atmosphere;	83%

: 665033-49-8
N-(2-(3-hydroxyprop-1-yn-1-yl)phenyl)-4-methylbenzenesulfonamide

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; α,α,α-trifluorotoluene for 8h; Meyer-Schuster Rearrangement; Reflux;	82%

: 5652-38-0
N-phenyl-β-alanine

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
With Acide polyphosphorique at 120 - 130℃; for 1h;	70%
With polyphosphoric acid at 50℃; for 3.5h;	49%
Stage #1: N-phenyl-β-alanine With Eaton's reagent at 70℃; Friedel Crafts Acylation; Stage #2: With sodium hydroxide; water at 0℃;	46.3%

: 62750-11-2
ethyl 3-phenylaminopropionate

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
With methanesulfonic acid; phosphorus pentoxide at 130℃; for 5h; Inert atmosphere;	68%
Multi-step reaction with 2 steps 1: ethylmagnesium bromide / tetrahydrofuran / 14 h 2: 80 percent / trifluoroacetic acid / 1 h / 100 °C View Scheme

: 3-(2-aminophenyl)propyn-1-ol

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
With tin(ll) chloride In water; tert-butyl alcohol for 1h; Reagent/catalyst; Meyer-Schuster Rearrangement; Reflux; Sealed tube;	66%

: 64142-63-8
1-acetyl-1,2,3,4-tetrahydroquinolin-4-one

A: 146943-76-2
6-Acetyl-2,3-dihydro-4(1H)-quinolinone

B: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
With PPA at 120℃; for 0.166667h;	A 11.7% B 51.2%
With PPA In acetonitrile at 120℃; for 0.5h; Mechanism; Irradiation;	A 11.7% B 51.2%

: N-[2-(3-hydroxypropyl-1-ynyl)phenyl]-4-benzamide

A: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

B: 99293-89-7
1-benzoyl-2,3-dihydro-1H-quinolin-4-one

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; α,α,α-trifluorotoluene for 6h; Meyer-Schuster Rearrangement; Reflux;	A 25% B 50%

: 125812-44-4
2-(2-(hydroxymethyl)ethynyl)aniline

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; α,α,α-trifluorotoluene for 6h; Meyer-Schuster Rearrangement; Reflux;	50%
With toluene-4-sulfonic acid In benzene Reflux; Green chemistry;	10%
Multi-step reaction with 2 steps 1: pyridine / dichloromethane / 0 - 20 °C 2: α,α,α-trifluorotoluene; trifluorormethanesulfonic acid / 8 h / Reflux View Scheme

: 4-chloro-N-[2-(3-hydroxy-prop-1-ynyl)-phenyl]-benzamide

A: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

B: 1-(4-chloro-benzoyl)-2,3-dihydro-1H-quinolin-4-one

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; α,α,α-trifluorotoluene for 6h; Meyer-Schuster Rearrangement; Reflux;	A 25% B 40%

: 4-fluoro-N-[2-(3-hydroxy-prop-1-ynyl)-phenyl]-benzamide

A: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

B: 1-(4-fluoro-benzoyl)-2,3-dihydro-1H-quinolin-4-one

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; α,α,α-trifluorotoluene for 6h; Meyer-Schuster Rearrangement; Reflux;	A 25% B 35%

: 137116-93-9
ethyl 1-phenyl-1,4,5,6-tetrahydropyridazine-3-carboxylate

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
With PPA; Polyphosphoric acid (PPA) at 110℃; for 0.25h;	19%

: 1136-75-0
4-oxo-1,2,3,4-tetrahydro-quinoline-3-carboxylic acid methyl ester

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
With hydrogenchloride; water

: 38113-64-3
methyl 3-(o-methoxycarbonylanilino)propionate

A: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

B: 1136-75-0
4-oxo-1,2,3,4-tetrahydro-quinoline-3-carboxylic acid methyl ester

Conditions

Conditions	Yield
With ethanol; sodium; benzene
With sodium; xylene

1-p-toluenesulfonyl-4-chloro-1.2-dihydro-quinoline: 1-p-toluenesulfonyl-4-chloro-1.2-dihydro-quinoline

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid

: 7647-01-0
hydrogenchloride

: 856089-56-0
N-(p-toluenesulfonyl)-4-chloro-1,2-dihydroquinoline

: 64-19-7
acetic acid

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

...Expand

: 62-53-3
aniline

Wang resin-bound styrene 4: Wang resin-bound styrene 4

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene / 100 °C 2: polyphosphoric acid / 100 °C View Scheme

: 21911-84-2
methyl 3-(phenylamino)propanoate

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: pyridine / 0.33 h / Heating 2: aq. HCl / dioxane / 3 h / Heating 3: 1.) PCl5, 2.) AlCl3 / 1.) benzene, from 5 deg C to 23 deg C, 30 min, 2.) benzene 15-20 deg C, 3.5 h 4: 83 percent / gl. AcOH, aq. HCl / 3.5 h / Heating View Scheme
Multi-step reaction with 4 steps 1: pyridine 2: aqueous methanol. KOH-solution 3: phosphorus (V)-chloride; benzene / Behandeln des erhaltenen Reaktionsgemisches mit Zinn(IV)-chlorid in Benzol. 4: acetic acid; water; hydrochloric acid View Scheme

: 17266-98-7
methyl 3-[N-phenyl-N-(p-toluenesulfonyl)amino]propionate

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: aq. HCl / dioxane / 3 h / Heating 2: 1.) PCl5, 2.) AlCl3 / 1.) benzene, from 5 deg C to 23 deg C, 30 min, 2.) benzene 15-20 deg C, 3.5 h 3: 83 percent / gl. AcOH, aq. HCl / 3.5 h / Heating View Scheme
Multi-step reaction with 3 steps 1: aqueous methanol. KOH-solution 2: phosphorus (V)-chloride; benzene / Behandeln des erhaltenen Reaktionsgemisches mit Zinn(IV)-chlorid in Benzol. 3: acetic acid; water; hydrochloric acid View Scheme

: 65148-06-3
N-((4-methylphenyl)sulfonyl)-N-phenyl-beta-alanine

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) PCl5, 2.) AlCl3 / 1.) benzene, from 5 deg C to 23 deg C, 30 min, 2.) benzene 15-20 deg C, 3.5 h 2: 83 percent / gl. AcOH, aq. HCl / 3.5 h / Heating View Scheme
Multi-step reaction with 2 steps 1: phosphorus (V)-chloride; benzene / Behandeln des erhaltenen Reaktionsgemisches mit Zinn(IV)-chlorid in Benzol. 2: acetic acid; water; hydrochloric acid View Scheme
Multi-step reaction with 2 steps 1: xylene; phosphorus (V)-oxide / 138 °C 2: acetic acid; water; hydrochloric acid View Scheme
Stage #1: N-((4-methylphenyl)sulfonyl)-N-phenyl-beta-alanine With oxalyl dichloride In tetrahydrofuran; N,N-dimethyl-formamide at 0℃; for 1h; Stage #2: With aluminum (III) chloride at 0 - 20℃; for 2h; Inert atmosphere;	9.8 g

: 62-53-3
aniline

p-toluenesulfonic acid--ester: p-toluenesulfonic acid--ester

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: AcOH / 22 h / Heating 2: pyridine / 0.33 h / Heating 3: aq. HCl / dioxane / 3 h / Heating 4: 1.) PCl5, 2.) AlCl3 / 1.) benzene, from 5 deg C to 23 deg C, 30 min, 2.) benzene 15-20 deg C, 3.5 h 5: 83 percent / gl. AcOH, aq. HCl / 3.5 h / Heating View Scheme

: 62-53-3
aniline

2-halogen-aniline: 2-halogen-aniline

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: conc. hydrochloric acid / ethanol / 48 h / Heating 2: ethylmagnesium bromide / tetrahydrofuran / 14 h 3: 80 percent / trifluoroacetic acid / 1 h / 100 °C View Scheme

: 137116-95-1
ethyl 5-chloro-2-oxopentanoate phenylhydrazone

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 41 percent / K2CO3 / ethanol / 24 h / Heating 2: 19 percent / polyphosphoric acid (PPA) / 0.25 h / 110 °C View Scheme

: 62-53-3
aniline

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: acetic acid 2: pyridine 3: aqueous methanol. KOH-solution 4: phosphorus (V)-chloride; benzene / Behandeln des erhaltenen Reaktionsgemisches mit Zinn(IV)-chlorid in Benzol. 5: acetic acid; water; hydrochloric acid View Scheme
Multi-step reaction with 3 steps 1: potassium carbonate / dichloromethane / 3 h / 20 °C 2: sodium t-butanolate / N,N-dimethyl-formamide / 2 h / 20 °C 3: trifluorormethanesulfonic acid / 1,2-dichloro-ethane View Scheme
Multi-step reaction with 2 steps 1: acetic acid / methanol / 61 h / 20 °C / Reflux 2: methanesulfonic acid; phosphorus pentoxide / 5 h / 130 °C / Inert atmosphere View Scheme

: 7661-07-6
3-bromo-N-phenylpropanamide

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium t-butanolate / N,N-dimethyl-formamide / 2 h / 20 °C 2: trifluorormethanesulfonic acid / 1,2-dichloro-ethane View Scheme
Multi-step reaction with 2 steps 1: sodium t-butanolate / N,N-dimethyl-formamide / 3 h / 0 - 20 °C 2: trifluorormethanesulfonic acid / 1,2-dichloro-ethane / 0 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: sodium t-butanolate / N,N-dimethyl-formamide / 3 h / 20 °C 2: trifluorormethanesulfonic acid / 1,2-dichloro-ethane / 2 h / 0 - 20 °C View Scheme

: 552-89-6
2-nitro-benzaldehyde

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: tetrahydrofuran / 2 h / -78 °C / Inert atmosphere 2.1: Jones reagent / water; acetone / 1 h / 23 °C / Inert atmosphere 3.1: hydrogenchloride / 80 - 85 °C / Inert atmosphere 3.2: 1 h / 100 °C / Inert atmosphere View Scheme

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

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

: 179898-00-1
1-tert-butyloxycarbonyl-1,2,3,4-tetrahydro-4-quinolinone

Conditions

Conditions	Yield
With dmap; N-ethyl-N,N-diisopropylamine In dichloromethane at 60℃; for 16h;	100%
Stage #1: 2,3-dihydroquinolin-4(1H)-one; di-tert-butyl dicarbonate In tetrahydrofuran for 16h; Heating / reflux; Stage #2: With sodium hydroxide In water; ethyl acetate	78%
With dmap; triethylamine In dichloromethane at 20℃; for 2h;	74%

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: (R)-1,2,3,4-tetrahydroquinolin-4-ol

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; C49H64FeNOP; hydrogen; sodium t-butanolate In isopropyl alcohol at 25 - 30℃; under 38002.6 Torr; for 12h; Autoclave; enantioselective reaction;	99%

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 79-19-6
thiosemicarbazide

: 1431552-20-3
2,3-dihydro-1H-quinoline-4-one thiosemicarbazone

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In methanol for 36h; Reflux;	97%

: 527-69-5
2-furancarbonyl chloride

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

A: 367509-07-7
furan-2-yl(4-hydroxy-3,4-dihydroquinolin-1(2H)-yl)methanone

B: 367509-08-8
1-(2-furoyl)-2,3-dihydro-4(1H)-quinolinone

Conditions

Conditions	Yield
	A 95% B n/a

...Expand

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 501-53-1
benzyl chloroformate

: 934192-22-0
1-benzyloxycarbonyl-2,3-dihydro-4-quinolone

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran; water at 0 - 25℃; for 4h;	93%
With potassium carbonate In tetrahydrofuran; water at 0 - 25℃; for 24h;	93%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;	83%

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 217813-03-1
3-methoxy-2-(trimethylsilyl)phenyl-trifluoromethanesulfonate

: 1385731-29-2
1-methoxy-10-(3-methoxyphenyl)acridin-9(10H)-one

Conditions

Conditions	Yield
With cesium fluoride In acetonitrile at 20℃; for 24h;	90%

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 402-49-3
4-bromomethyltrifluoromethylbenzene

: 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroquinolin-4-one

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In acetonitrile at 120℃; for 1.5h; Microwave irradiation;	87.4%

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 529-37-3
4(1H)-quinolinone

Conditions

Conditions	Yield
With palladium 10% on activated carbon; sodium hydroxide In water; isopropyl alcohol for 16h; Inert atmosphere; Reflux;	87%
With palladium on activated charcoal; water

: 109-99-9
tetrahydrofuran

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 7677-24-9
trimethylsilyl cyanide

: 5-hydroxy-2-(4-oxo-3,4-dihydroquinolin-1(2H)-yl)pentanenitrile

Conditions

Conditions	Yield
Stage #1: tetrahydrofuran With copper (I) acetate; 4,4'-di-tert-butyl-2,2'-bipyridine at 20℃; for 0.25h; Inert atmosphere; Stage #2: 2,3-dihydroquinolin-4(1H)-one; trimethylsilyl cyanide With ammonium chloride; N-fluorobis(benzenesulfon)imide at 20℃; for 8h; Inert atmosphere;	87%

...Expand

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 76228-06-3
6-bromo-2,3-dihydro-1H-quinolin-4-one

Conditions

Conditions	Yield
With N-Bromosuccinimide In dichloromethane at 0℃; for 1.5h;	86%
With N-Bromosuccinimide In dichloromethane at 20℃; for 1.5h;
With N-Bromosuccinimide In dichloromethane at 20℃; for 1.5h;

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

A: 367509-05-5
(3,4-dimethoxyphenyl)(4-hydroxy-3,4-dihydroquinolin-1(2H)-yl)methanone

B: 367509-06-6
1-(3,4-dimethoxybenzoyl)-2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
	A 86% B n/a

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 4,5-dimethoxy-2-(trimethylsilyl)phenyl trifluoromethanesulfonate

: 1385731-26-9
10-(3,4-dimethoxyphenyl)-2,3-dimethoxyacridin-9(10H)-one

Conditions

Conditions	Yield
With cesium fluoride In acetonitrile at 20℃; for 24h;	85%

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 137-07-5
2-amino-benzenethiol

: 97819-50-6
12H-quino<3,4-b>-1,4-benzothazine

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide at 110℃; for 10h;	84%

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 7677-24-9
trimethylsilyl cyanide

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 2-(4-oxo-3,4-dihydroquinolin-1(2H)-yl)acetonitrile

Conditions

Conditions	Yield
With copper diacetate; N-fluorobis(benzenesulfon)imide; 4,4'-di-tert-butyl-2,2'-bipyridine at 20℃; for 16h; Inert atmosphere;	81%

...Expand

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 88284-48-4
2-(trimethylsilyl)phenyl trifluoromethanesulfonate

: 5472-23-1
10-phenylacridin-9(10H)-one

Conditions

Conditions	Yield
With cesium fluoride In acetonitrile at 20℃; for 24h;	77%

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 2834-23-3
chlorodifluoroacetic anhydride

: 1-(2-chloro-2,2-difluoroacetyl)-2,3-dihydroquinolin-4(1H)-one

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere;	74%

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 4,5-dimethyl-2-(trimethylsilyl)phenyl triflate

: 1385731-25-8
10-(3,4-dimethylphenyl)-2,3-dimethylacridin-9(10H)-one

Conditions

Conditions	Yield
With cesium fluoride In acetonitrile at 20℃; for 24h;	73%

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 88284-48-4
2-(trimethylsilyl)phenyl trifluoromethanesulfonate

A: 10258-13-6
1-phenyl-2,3-dihydro-1H-quinolin-4-one

B: 5472-23-1
10-phenylacridin-9(10H)-one

Conditions

Conditions	Yield
With cesium fluoride In acetonitrile at 23℃; for 2h;	A 20% B 73%

...Expand

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 6-(trimethylsilyl)-5-indanyl triflate

: 1385731-28-1
10-(3,4-dimethoxyphenyl)-2,3-dimethoxyacridin-9(10H)-[b]acridin-10(5H)-one

Conditions

Conditions	Yield
With cesium fluoride In acetonitrile at 20℃; for 24h;	69%

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 74-88-4
methyl iodide

: 1198-15-8
1-methyl-1,2,3,4-tetrahydroquinolin-4-one

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃;	68%
With potassium carbonate In acetone at 80℃; for 16h;	61%
With potassium carbonate In acetone at 80℃; for 16h;	50%

: 4295-36-7
2,3-dihydroquinolin-4(1H)-one

: 108-24-7
acetic anhydride

A: 57445-29-1
6-nitro-1,2,3,4-tetrahydroquinolin-4-one

B: 64142-63-8
1-acetyl-1,2,3,4-tetrahydroquinolin-4-one

C: 1431552-24-7
1-nitro-2,3-dihydro-1H-quinolin-4-one

Conditions

Conditions	Yield
With nitric acid; acetic acid at 0 - 20℃;	A 25% B 12% C 65%

...Expand

2,3-Dihydro-1H-quinolin-4-one Specification

The 2,3-Dihydro-1H-quinolin-4-one with the cas number 4295-36-7 is also called 4(1H)-Quinolinone, 2,3-dihydro-. The systematic name is 2,3-dihydroquinolin-4(1H)-one. The molecular formula of this chemical is C₉H₉NO. Its product category is pharmacetical.

The properties of the chemical are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 36.15; (6)ACD/BCF (pH 7.4): 36.21; (7)ACD/KOC (pH 5.5): 453.69; (8)ACD/KOC (pH 7.4): 454.37; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 41.9 cm³; (15)Molar Volume: 128.7 cm³; (16)Polarizability: 16.61×10^-24cm³; (17)Surface Tension: 41 dyne/cm; (18)Enthalpy of Vaporization: 54.11 kJ/mol ; (19)Vapour Pressure: 0.00108 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(cccc1)NCC2
(2)InChI: InChI=1/C9H9NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-4,10H,5-6H2
(3)InChIKey: BUWPZNOVIHAWHW-UHFFFAOYAQ

Product Name

2,3-Dihydro-1H-quinolin-4-one

Synthetic route

2,3-Dihydro-1H-quinolin-4-one Specification

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