2-Coumaranone supplier | CasNO.553-86-6

Name
2-Coumaranone
EINECS 209-052-0
CAS No. 553-86-6
Article Data82
CAS DataBase
Density 1.264 g/cm³
Solubility
Melting Point 49-51 °C(lit.)
Formula C₈H₆O₂
Boiling Point 249 °C at 760 mmHg
Molecular Weight 134.134
Flash Point 96.9 °C
Transport Information
Appearance white to light yellow crystalline powder
Safety 24/25-36-26
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Aceticacid, (o-hydroxyphenyl)-, g-lactone (6CI,7CI);2,3-Dihydrobenzofuran-2-one;2-Benzofuranone;2(3H)-Benzofuranone;2-Coumarone;3H-Benzofuran-2-one;Benzeneacetic acid,2-hydroxy-, g-lactone;Benzo[b]furan-2(3H)-one;Cumaranone;Isophthalide;NSC 227414;o-Hydroxyphenylacetic acid g-lactone;a-Coumaranone;
PSA 26.30000
LogP 1.14810

Synthetic route

: 614-75-5
2-Hydroxyphenylacetic acid

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With pyrophosphoryl chloride at 35℃; for 0.333333h;	100%
With toluene-4-sulfonic acid In toluene for 4h; Heating;	100%
With sulfuric acid In water; toluene at 100℃; for 6h; Reagent/catalyst; Temperature;	98%

: butyl o-acetoxyphenylacetate

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With tin(IV) oxide at 140℃; for 5h; Inert atmosphere;	98%

: 2-[2-(tert-Butyl-dimethyl-silanyloxy)-phenyl]-N,N-diethyl-acetamide

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With trifluoroacetic acid In toluene for 1h; Heating;	97%

: potassium benzo[d][1,3]dioxol-5-yltrifluoroborate

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With Oxone In water; acetone at 20℃; for 0.0333333h; Cooling with ice;	97%
With Oxone; water In acetone at 20℃; for 0.0833333h;	9%
With oxone In water; acetone for 2h;	14 mg

: ethyl o-acetoxyphenylacetate

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With magnesium oxide at 120℃; for 2h; Temperature; Reagent/catalyst;	97%

: methyl o-acetoxyphenylacetate

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With alumina molecular sieve at 90℃; for 4h; Reagent/catalyst; Temperature; Inert atmosphere;	96%

: 182962-47-6
N,N-diethyl-2-(2-hydroxy)phenyl acetamide

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With hydrogenchloride In toluene for 40h; Heating;	94%
With hydrogenchloride In water; benzene for 40h; Reagent/catalyst; Reflux;

: 1104637-65-1
2-benzofuranylboronic acid mida ester

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
Stage #1: 2-benzofuranylboronic acid mida ester With potassium hydrogen bifluoride In methanol; water at 70℃; for 2h; Stage #2: With Oxone In methanol; water at 18℃; for 0.166667h;	89%
Multi-step reaction with 2 steps 1: methanol; water / 4 h / 70 °C 2: oxone / water; acetone / 2 h View Scheme

: 1746-13-0
allyl phenyl ether

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
Stage #1: allyl phenyl ether With water; ozone at 15℃; Stage #2: In water at 60℃;	85%

: 64-18-6
formic acid

: 90-01-7
salicylic alcohol

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); acetic anhydride; tris-(o-tolyl)phosphine In toluene at 30 - 100℃; for 3.5h; Catalytic behavior; Reagent/catalyst; Temperature; Inert atmosphere;	84%

: 620-73-5
phenyl chloroacetate

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With aluminum (III) chloride In tetrachloromethane at 20℃; for 6h; Solvent; Reagent/catalyst; Temperature;	83%

: 24431-30-9
5-(tert-butyl)benzofuran-2(3H)-one

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With aluminum (III) chloride In toluene Reflux;	82.1%

: 4279-76-9
phenoxyacetylene

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With 2,6-lutidine N-oxide; tetrafluoroboric acid diethyl ether In 1,4-dioxane at 80℃; for 5h;	81%
With 2,6-lutidine N-oxide; tetrafluoroboric acid diethyl ether In 1,4-dioxane at 80℃; for 3h;	81%

: 612-14-6
phthalyl alcohol

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With [RuH(η2-BH4)(2-di-tert-butylphosphinomethyl-6-diethylaminomethylpyridine)] In toluene at 115℃; for 48h; Inert atmosphere;	76%
With phosphoric acid tributyl ester at 119.84℃; under 9375.94 Torr; for 8h; Catalytic behavior; Autoclave;	48%

: 98437-24-2
benzofuran-2-boronic acid

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With N,N-dimethyl-p-toluidine N-oxide In dichloromethane at 20℃; for 2h;	74%

: 22446-37-3
methyl (2-hydroxyphenyl)acetate

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With aluminum (III) chloride; 2,6-di-tert-butyl-4-methyl-phenol; trifluoroacetic acid In 1,2-dichloro-benzene at 150℃; for 4h; Inert atmosphere; Sealed tube;	70%
Multi-step reaction with 5 steps 1.1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 20 °C / Inert atmosphere 2.1: potassium hydroxide / tetrahydrofuran; water / 0.5 h / 0 °C / Inert atmosphere 2.2: 1 h / Inert atmosphere 3.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 0 - 20 °C / Inert atmosphere 4.1: palladium on activated charcoal; hydrogen / ethanol / 20 °C / Inert atmosphere 5.1: N,N,N',N'-tetramethyl-1,8-diaminonaphthalene / 80 °C / Inert atmosphere View Scheme
Multi-step reaction with 5 steps 1.1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 20 °C / Inert atmosphere 2.1: potassium hydroxide / tetrahydrofuran; water / 0.5 h / 0 °C / Inert atmosphere 2.2: 1 h / Inert atmosphere 3.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 0 - 20 °C / Inert atmosphere 4.1: palladium on activated charcoal; hydrogen / ethanol / 20 °C / Inert atmosphere 5.1: N,N,N',N'-tetramethyl-1,8-diaminonaphthalene / 80 °C / Inert atmosphere View Scheme
Multi-step reaction with 5 steps 1.1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 20 °C / Inert atmosphere 2.1: potassium hydroxide / tetrahydrofuran; water / 0.5 h / 0 °C / Inert atmosphere 2.2: 1 h / Inert atmosphere 3.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 0 - 20 °C / Inert atmosphere 4.1: palladium on activated charcoal; hydrogen / ethanol / 20 °C / Inert atmosphere 5.1: N,N,N',N'-tetramethyl-1,8-diaminonaphthalene / 80 °C / Inert atmosphere View Scheme

: 496-16-2
2,3-Dihydrobenzofuran

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With FeH6Mo6O24(3-)3H3N3H(1+)*7H2O; tetrabutylammomium bromide; dihydrogen peroxide In 1,4-dioxane at 70℃; for 24h;	69%

: 496-64-0
3-hydroxy-2-pyrone

: 34805-49-7
methyl 3-nitrobut-3-enoate

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With aluminum (III) chloride; 2,6-di-tert-butyl-4-methyl-phenol; trifluoroacetic acid In 1,2-dichloro-benzene at 120℃; for 20h; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube; regioselective reaction;	64%

: 3469-06-5
benzocyclobutenone

A: 87-41-2
2-benzofuran-1(3H)-one

B: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With Calcium tetrakis(pentafluorophenyl)borate; dihydrogen peroxide; oxalic acid In water; 1,2-dichloro-ethane at 50℃; for 6h; Reagent/catalyst;	A 63% B 24%

: C20H26O8

A: 553-86-6
benzofuran-2(3H)-one

B: 350255-13-9
1,2:5,6-di-O-isopropylidene-α-D-glucofuranose

Conditions

Conditions	Yield
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene at 80℃; Inert atmosphere;	A n/a B 63%

: 201230-82-2
carbon monoxide

: 90-01-7
salicylic alcohol

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); benzoic acid In benzene at 125℃; under 3800 Torr; for 20h;	59%

: 201230-82-2
carbon monoxide

: 90-01-7
salicylic alcohol

A: 553-86-6
benzofuran-2(3H)-one

B: 95-48-7
ortho-cresol

C: 614-75-5
2-Hydroxyphenylacetic acid

Conditions

Conditions	Yield
With hydrogen iodide; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 120℃; under 68400 Torr; for 42h; Carbonylation; reduction;	A 9% B 7% C 56%
With tetrakis(triphenylphosphine) palladium(0); hydrogen iodide In 1,4-dioxane at 120℃; under 68400 Torr; for 42h;	A 9 % Spectr. B 7 % Spectr. C 36%

...Expand

: 133642-10-1
C12H19N2O4P

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With formic acid for 1h; Heating;	54%

: 85630-35-9
N,N-diethyl-2-methylcarbamoyloxybenzene

A: 553-86-6
benzofuran-2(3H)-one

B: 182962-47-6
N,N-diethyl-2-(2-hydroxy)phenyl acetamide

Conditions

Conditions	Yield
With ammonium chloride; lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃;	A 15% B 54%

: 496-64-0
3-hydroxy-2-pyrone

: 34805-49-7
methyl 3-nitrobut-3-enoate

A: 553-86-6
benzofuran-2(3H)-one

B: 22446-37-3
methyl (2-hydroxyphenyl)acetate

Conditions

Conditions	Yield
With aluminum (III) chloride; 2,6-di-tert-butyl-4-methyl-phenol In 1,2-dichloro-benzene at 120℃; for 2h; Inert atmosphere;	A 15% B 53%
With 2,6-di-tert-butyl-4-methyl-phenol; dimethylaluminum chloride; trifluoroacetic acid In 1,2-dichloro-benzene at 100℃; for 2.5h; Inert atmosphere;	A 30% B 29%

...Expand

: 21119-50-6
2-diazo-1-phenylethan-1-one

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
dirhodium tetraacetate In dichloromethane for 24h;	43%

: 662109-78-6
1H-benzo[4,5]furo[3,2-d]thiazol-2-ylideneamine

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With sodium hydroxide In water at 20℃;	40%

: 122-88-3
4-Chlorophenoxyacetic acid

A: 553-86-6
benzofuran-2(3H)-one

B: 28033-47-8
5-chloro-2,3-dihydro-2-benzofuranone

C: 106-48-9
4-chloro-phenol

D: 122-59-8
2-phenoxyacetic acid

E: 108-95-2
phenol

Conditions

Conditions	Yield
With air In water for 7h; Product distribution; Ambient temperature; Irradiation; also under argon atmosphere; photodegradation pathways;	A 7% B 12% C 28% D 3% E 38%

...Expand

: 695-84-1
2-allylphenol

: 553-86-6
benzofuran-2(3H)-one

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; 2.9-dimethyl-1,10-phenanthroline; water; copper dichloride; palladium dichloride In nitromethane at 80℃; for 24h; chemoselective reaction;	35%

: 271-89-6
1-benzofurane

A: 553-86-6
benzofuran-2(3H)-one

B: 17392-15-3
2-hydroxy-3(2H)-benzofuranone

C: 90-02-8
salicylaldehyde

Conditions

Conditions	Yield
With molybdenum peroxide hexamethylphosphorylamide In dichloromethane for 168h; Ambient temperature;	A 7% B 18% C 12%

...Expand

: 67-56-1
methanol

: 553-86-6
benzofuran-2(3H)-one

: 22446-37-3
methyl (2-hydroxyphenyl)acetate

Conditions

Conditions	Yield
hydrogenchloride at 50℃; for 0.5h;	99%
With amberlyst-15 for 26h;	88%

: 553-86-6
benzofuran-2(3H)-one

: 18639-02-6
N-hydroxy-2-(2-hydroxyphenyl)acetamide

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; potassium hydroxide In methanol at 0 - 20℃; Inert atmosphere;	99%

: 553-86-6
benzofuran-2(3H)-one

: 90290-05-4, 93621-94-4, 105016-60-2, 144993-81-7
(2S,5S)-2,5-bis(methoxymethyl)pyrrolidine

: 1599446-48-6
1-[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-2-(2-hydroxyphenyl)ethanone

Conditions

Conditions	Yield
In toluene Reflux;	99%

: 110-89-4
piperidine

: 553-86-6
benzofuran-2(3H)-one

: 24789-88-6
2-(2-hydroxyphenyl)-1-(piperidin-1-yl)ethan-1-one

Conditions

Conditions	Yield
In toluene at 110℃;	98%
With toluene-4-sulfonic acid In toluene at 110℃;	98%

: 553-86-6
benzofuran-2(3H)-one

: 90-02-8
salicylaldehyde

: 13130-21-7
3-(2-hydroxyphenyl)-2H-chromen-2-one

Conditions

Conditions	Yield
With triethylamine for 1h; Reflux;	98%
With N,N,N',N'-tetramethylguanidine In chloroform at 20℃; for 3h; Reagent/catalyst; Sealed tube;	97%
With N,N,N',N'-tetramethylguanidine In chloroform at 20℃; for 3h; Sealed tube;	97%

: 553-86-6
benzofuran-2(3H)-one

: 1486473-80-6
C16H14ClNO

: (3S*,11b'S*)-3'-chloro-6',7',11b',13'-tetrahydro-2H-spiro[benzofuran-3,12'-isoquinolino[2,1-a]quinolin]-2-one

Conditions

Conditions	Yield
With piperidine In N,N-dimethyl acetamide at 150℃; for 4h; Inert atmosphere; diastereoselective reaction;	98%

: 553-86-6
benzofuran-2(3H)-one

: 124525-62-8
2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)benzaldehyde

: (3S*,11b'S*)-9',10'-dimethoxy-6',7',11b',13'-tetrahydro-2H-spiro[benzofuran-3,12'-isoquinolino[2,1-a]quinolin]-2-one

Conditions

Conditions	Yield
With piperidine In N,N-dimethyl acetamide at 150℃; for 5h; Inert atmosphere; diastereoselective reaction;	98%

: 553-86-6
benzofuran-2(3H)-one

: C15H13BrN2O

: (3S*,11b'S*)-2'-bromo-6',7',11b',13'-tetrahydro-2H-spiro[benzofuran-3,12'-isoquinolino[2,1-a][1,8]naphthyridin]-2-one

Conditions

Conditions	Yield
With piperidine In N,N-dimethyl acetamide at 150℃; for 7h; Inert atmosphere; diastereoselective reaction;	98%

: 553-86-6
benzofuran-2(3H)-one

: 187661-86-5
buta-2,3-dienoic acid benzyl ester

: benzyl (E)-4-(3-(4-(benzyloxy)-4-oxobut-1-en-2-yl)-2-oxo-2,3-dihydrobenzofuran-3-yl)but-2-enoate

Conditions

Conditions	Yield
With triphenylphosphine In toluene at 20℃; for 12h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;	97%

: 672-13-9
2-hydroxy-5-methoxybenzaldehyde

: 553-86-6
benzofuran-2(3H)-one

: 3-(2-hydroxyphenyl)-6-methoxy-2H-chromen-2-one

Conditions

Conditions	Yield
With N,N,N',N'-tetramethylguanidine In chloroform at 20℃; for 3h; Sealed tube;	97%
With N,N,N',N'-tetramethylguanidine In chloroform at 20℃; for 3h; Sealed tube;	97%
With triethylamine for 1h; Reflux;	96%

: 553-86-6
benzofuran-2(3H)-one

: 613-84-3
2-hydroxy-5-methylbenzaldehyde

: 1338596-79-4
3-(2-hydroxyphenyl)-6-methyl-2H-chromen-2-one

Conditions

Conditions	Yield
With N,N,N',N'-tetramethylguanidine In chloroform at 20℃; for 3h; Sealed tube;	97%
With N,N,N',N'-tetramethylguanidine In chloroform at 20℃; for 3h; Sealed tube;	97%
With triethylamine for 1h; Reflux;	90%

: 553-86-6
benzofuran-2(3H)-one

: 38226-10-7
2-fluoro-6-hydroxybenzaldehyde

: 5-fluoro-3-(2-hydroxyphenyl)coumarin

Conditions

Conditions	Yield
With N,N,N',N'-tetramethylguanidine In chloroform at 20℃; for 3h; Sealed tube;	97%
With N,N,N',N'-tetramethylguanidine In chloroform at 20℃; for 3h; Sealed tube;	97%

: 553-86-6
benzofuran-2(3H)-one

: 149-73-5
trimethyl orthoformate

: 40800-90-6
3-(α-methoxy)methylene benzofuran-2-(3H)-ketone

Conditions

Conditions	Yield
With acetic anhydride at 95 - 100℃; Concentration;	96.5%
With acetic anhydride at 40 - 90℃; Temperature;	96.8%
at 110℃; for 21h; Large scale;
With zinc(II) chloride at 110℃; for 4h;

: 553-86-6
benzofuran-2(3H)-one

: 7768-28-7
2-(2-hydroxyphenyl)ethanol

Conditions

Conditions	Yield
With methanol; Na/SiO2 In tetrahydrofuran at 0 - 25℃; Bouveault-Blanc reduction; Inert atmosphere;	96%
With lithium aluminium tetrahydride In diethyl ether Heating;
With sodium tetrahydroborate In tetrahydrofuran at 0 - 30℃; for 5h; Reagent/catalyst; Solvent; Temperature;	9.1 g

: 553-86-6
benzofuran-2(3H)-one

: 109-89-7
diethylamine

: 182962-47-6
N,N-diethyl-2-(2-hydroxy)phenyl acetamide

Conditions

Conditions	Yield
In toluene at 110℃;	96%
With toluene-4-sulfonic acid In toluene at 110℃;	96%

: 553-86-6
benzofuran-2(3H)-one

: 107-15-3
ethylenediamine

: N,N'-(ethane-1,2-diyl)bis(2-(2-hydroxyphenyl)acetamide)

Conditions

Conditions	Yield
In ethanol at 20℃; Inert atmosphere;	95%

: 553-86-6
benzofuran-2(3H)-one

: 2627-86-3
(S)-1-phenyl-ethylamine

: 543681-05-6
2-(2-hydroxyphenyl)-N-(1S-α-phenylethyl)acetamide

Conditions

Conditions	Yield
In toluene at 20℃; for 0.0833333h;	95%
In toluene Heating;

: 553-86-6
benzofuran-2(3H)-one

: 103836-71-1, 103836-73-3, 103836-74-4, 42160-07-6
1,5-bis(4-trifluoromethylphenyl)-1,4-pentadiene-3-one

: C27H18F6O3

Conditions

Conditions	Yield
With QD-4 In para-xylene at 20℃; for 96h; Catalytic behavior; Michael Addition; stereoselective reaction;	95%

: 673-22-3
2-Hydroxy-4-methoxybenzaldehyde

: 553-86-6
benzofuran-2(3H)-one

: 3-(2-hydroxyphenyl)-7-methoxy-2H-chromen-2-one

Conditions

Conditions	Yield
With triethylamine for 1h; Reflux;	95%
With N,N,N',N'-tetramethylguanidine In chloroform at 20℃; for 3h; Sealed tube;	95%
With N,N,N',N'-tetramethylguanidine In chloroform at 20℃; for 3h; Sealed tube;	95%

: 553-86-6
benzofuran-2(3H)-one

: 97-51-8
5-Nitrosalicylaldehyde

: 13130-30-8
3-(2-hydroxyphenyl)-6-nitro-2H-chromen-2-one

Conditions

Conditions	Yield
With triethylamine for 1h; Reflux;	95%

: 553-86-6
benzofuran-2(3H)-one

: 348-28-7
4-fluoro-2-hydroxybenzaldehyde

: 7-fluoro-3-(2-hydroxyphenyl)coumarin

Conditions

Conditions	Yield
With N,N,N',N'-tetramethylguanidine In chloroform at 20℃; for 3h; Sealed tube;	95%
With N,N,N',N'-tetramethylguanidine In chloroform at 20℃; for 3h; Sealed tube;	95%

: 553-86-6
benzofuran-2(3H)-one

: 201230-82-2
carbon monoxide

: 70450-82-7
3-hydroxymethylenebenzofuran-2(3H)-one

Conditions

Conditions	Yield
With sodium methylate In N,N-dimethyl-formamide at 40℃; under 225023 Torr; for 6h; Reagent/catalyst; Solvent; Temperature; Pressure; Green chemistry;	95%

: 553-86-6
benzofuran-2(3H)-one

: 99412-47-2
(Dimethylamino)ethoxyacetaldehyd-dimethylhydrazon

: 3-<2-(Dimethylhydrazono)ethyliden>-2(3H)-benzofuranon

Conditions

Conditions	Yield
In ethanol Ambient temperature;	94%

2-Coumaranone Specification

The IUPAC name of 2-Coumaranone is 3H-1-benzofuran-2-one. With the CAS registry number 553-86-6, it is also named as 2,3-Dihydrobenzofuran-2-one. The product's categories are Benzofurans; Building Blocks; Heterocyclic Building Blocks. It is white to light yellow crystalline powder which should be stored at the normal temperature.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.76; (6)ACD/BCF (pH 7.4): 5.76; (7)ACD/KOC (pH 5.5): 121.94; (8)ACD/KOC (pH 7.4): 121.94; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 35.55 cm³; (14)Molar Volume: 106 cm³; (15)Polarizability: 14.09×10^-24 cm³; (16)Surface Tension: 47.1 dyne/cm; (17)Enthalpy of Vaporization: 48.62 kJ/mol; (18)Vapour Pressure: 0.0235 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 134.036779; (21)MonoIsotopic Mass: 134.036779; (22)Topological Polar Surface Area: 26.3; (23)Heavy Atom Count: 10; (24)Complexity: 153.

Preparation of 2-Coumaranone: It can be obtained by (2-hydroxy-phenyl)-acetic acid. This reaction needs reagent P₂O₃Cl₄ at temperature of 35 °C. The reaction time is 20 min. The yield is 100 %.

Uses of 2-Coumaranone: It can be used as flavoring agent. And it reacts with iodomethane to get 3,3-dimethyl-3H-benzofuran-2-one. This reaction needs reagent K₂CO₃ and solvent dimethylformamide. The yield is 44 %.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed, so people should avoid contact with skin and eyes. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C2Oc1ccccc1C2
2. InChI:InChI=1/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2
3 .InChIKey:ACZGCWSMSTYWDQ-UHFFFAOYAI

Product Name

2-Coumaranone

Synthetic route

2-Coumaranone Specification

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