5-Methyl-2(5H)-furanone supplier

Name
BETA-ANGELICA LACTONE
EINECS
CAS No. 591-11-7
Article Data75
CAS DataBase
Density 1.095g/cm³
Solubility
Melting Point <-17 °C
Formula C5H6 O2
Boiling Point 210°C at 760 mmHg
Molecular Weight 98.1014
Flash Point 78.9°C
Transport Information
Appearance
Safety Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pentenoicacid, 4-hydroxy-, g-lactone (6CI,7CI); 2-Oxo-5-methyl-2,5-dihydrofuran; 2-Penten-4-olide;4-Hydroxy-2-pentenoic acid g-lactone; 4-Hydroxypent-2-enoic acid lactone; 4-Methyl-2-buten-4-olide;5-Methyl-2(5H)-furanone; 5-Methyl-5H-furan-2-one; NSC 655; D1-Angelica lactone; a,b-Angelica lactone; b-Angelica lactone; g-Methyl-Da,b-butenolide
PSA 26.30000
LogP 0.48790

Synthetic route

: 1617-32-9
(E)-3-pentenoic acid

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
Stage #1: (E)-3-pentenoic acid With Oxalyl bromide; dimethyl sulfoxide In dichloromethane at -10 - 20℃; for 1.16667h; Inert atmosphere; Stage #2: With potassium carbonate In dichloromethane-d2; water at 20℃; for 5h; Inert atmosphere;	93%
Stage #1: (E)-3-pentenoic acid With oxalyl dichloride; 1,1'-sulfinylbisbenzene In dichloromethane at -78℃; for 0.166667h; Inert atmosphere; Stage #2: With 18-crown-6 ether; potassium carbonate In dichloromethane at -78 - 20℃; for 5h; Reagent/catalyst; Inert atmosphere;	85%
Stage #1: (E)-3-pentenoic acid With oxalyl dichloride; 1,1'-sulfinylbisbenzene In dichloromethane at -78 - 20℃; for 1h; Inert atmosphere; Stage #2: With 18-crown-6 ether; potassium carbonate In dichloromethane at 20℃; for 5h; Inert atmosphere;	85%
With (M,3aS,3a'S*)-3,3',3a',4,4',5,5'-octahydro-3,3,3',3'-tetraisopropyl-6,6'-spirobi[6H-cyclopent[c]isoxazole]; palladium diacetate; p-benzoquinone In dichloromethane at 30℃; for 24h; Inert atmosphere;	71%

: 201230-82-2
carbon monoxide

: 74785-04-9
(2R*,3Z)-4-Iodo-3-buten-2-ol

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
With potassium carbonate; hydrazine; bis-triphenylphosphine-palladium(II) chloride In tetrahydrofuran at 35℃; under 2280 Torr; for 72h;	95%

: 5204-64-8
3-pentenoic acid

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
Stage #1: 3-pentenoic acid With Oxalyl bromide; dimethyl sulfoxide In dichloromethane at -10 - 20℃; Inert atmosphere; Stage #2: With sodium hydroxide In dichloromethane; water for 5h; Reagent/catalyst;	93%

: 123-76-2
levulinic acid

A: 591-11-7
5-methyl-5H-furan-2-one

B: 591-12-8
5-methyl-2-furanone

C: 10008-73-8
5-methylenedihydrofuran-2-one

Conditions

Conditions	Yield
With silylated SiO2 catalyst In water at 250℃; under 760.051 Torr; for 0.8h; Reagent/catalyst; Inert atmosphere; Flow reactor;

...Expand

: 123-76-2
levulinic acid

A: 591-11-7
5-methyl-5H-furan-2-one

B: 591-12-8
5-methyl-2-furanone

Conditions

Conditions	Yield
With H-ZSM5/SiO2 at 129.84℃; under 75.0075 Torr; Reagent/catalyst; Temperature;	A 33% B 64%
bei der Destillation;
With montmorillonite K 10 at 165℃; under 50 Torr; Overall yield = 92 %; Overall yield = 15.6 g;

: 123-76-2
levulinic acid

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
bei der Destillation; Behandeln mit einer konz. Kaliumcarbonatloesung;
Multi-step reaction with 2 steps 1: 60 percent / H3PO4 / Heating 2: 43 percent / Et3N / benzene / 15 h / Heating View Scheme
Multi-step reaction with 2 steps 1: H3PO4 2: 79 percent / Et3N / 4 h / 100 °C View Scheme
Multi-step reaction with 2 steps 1: phosphoric acid / 175 °C 2: triethylamine / ethanol / 12 h View Scheme
Stage #1: levulinic acid under 50 Torr; Stage #2: With triethylamine at 80℃;

: 539-88-8
4-oxopentanoic acid ethyl ester

A: 591-11-7
5-methyl-5H-furan-2-one

B: 108-29-2
5-methyl-dihydro-furan-2-one

Conditions

Conditions	Yield
With formic acid; UN-No2881 ex. Kataleuna at 275℃;	A 7% B 30%

: 87-72-9, 608-45-7, 608-46-8, 608-47-9, 2460-44-8, 6748-95-4, 6763-34-4, 7261-26-9, 7283-06-9, 7283-07-0, 7296-55-1, 7296-56-2, 7296-58-4, 7296-59-5, 7296-60-8, 7296-61-9, 7296-62-0, 7322-30-7, 10257-31-5, 10257-32-6, 10257-33-7, 10257-34-8, 10257-35-9, 19982-83-3, 20242-88-0, 28697-53-2, 36562-42-2, 41546-41-2, 89299-64-9, 107655-34-5, 115794-06-4, 115794-07-5, 130550-15-1, 130606-21-2
D-Xylose

A: 98-01-1
furfural

B: 591-11-7
5-methyl-5H-furan-2-one

C: 22122-36-7
3-methyl-5H-furan-2-one

D: 600-14-6
2,3-Pentanedione

E: 75-07-0
acetaldehyde

F: 64-19-7
acetic acid

G: 110-13-4
2,5-hexanedione

H: 116-09-6
hydroxy-2-propanone

I: 431-03-8
dimethylglyoxal

Conditions

Conditions	Yield
With alumina-doped tungstated mesoporous zirconia In water at 170℃; Reagent/catalyst; Solvent; Inert atmosphere;

...Expand

: 591-12-8
5-methyl-2-furanone

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
With triethylamine at 100℃; for 4h;	79%
With triethylamine In toluene at 60℃; for 6h;	60%
With triethylamine at 75℃; for 2h;	55%

: 98-00-0
(2-furyl)methyl alcohol

: 67-56-1
methanol

A: 591-11-7
5-methyl-5H-furan-2-one

B: 591-12-8
5-methyl-2-furanone

C: 624-45-3
levulinic acid methyl ester

D: 13679-46-4
2-(methoxymethyl)furan

Conditions

Conditions	Yield
With zeolite H-beta at 110℃; for 1.5h; Autoclave;	A n/a B n/a C 10.1 %Chromat. D 18.3 %Chromat.

...Expand

: 98-00-0
(2-furyl)methyl alcohol

: 64-17-5
ethanol

A: 591-11-7
5-methyl-5H-furan-2-one

B: 591-12-8
5-methyl-2-furanone

C: 6270-56-0
2-(ethoxymethyl)furan

D: 539-88-8
4-oxopentanoic acid ethyl ester

Conditions

Conditions	Yield
With zeolite H-beta at 110℃; for 1.5h; Autoclave;	A n/a B n/a C 14.4 %Chromat. D 23.3 %Chromat.

...Expand

: 6270-56-0
2-(ethoxymethyl)furan

: 67-63-0
isopropyl alcohol

A: 591-11-7
5-methyl-5H-furan-2-one

B: 591-12-8
5-methyl-2-furanone

C: 21884-26-4
isopropyl levulinate

D: 123-76-2
levulinic acid

Conditions

Conditions	Yield
With zeolite H-beta at 110℃; for 1.5h; Autoclave;	A n/a B n/a C 7.7 %Chromat. D 6.4 %Chromat.

...Expand

: 16529-66-1
3-Pentenenitrile

A: 591-11-7
5-methyl-5H-furan-2-one

B: 132280-01-4, 132280-05-8
dihydro-4-acetoxy-5-methyl-2(3H)-furanone

Conditions

Conditions	Yield
With tetrafluoroboric acid; [bis(acetoxy)iodo]benzene In acetic acid at 70℃; for 14h;	A 6% B 58%

: 124-38-9
carbon dioxide

: 835594-73-5
(+/-)-(Z)-4-(butyltellanyl)but-3-en-2-ol

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
Stage #1: (+/-)-(Z)-4-(butyltellanyl)but-3-en-2-ol With n-butyllithium In tetrahydrofuran at -78℃; Stage #2: carbon dioxide In tetrahydrofuran at -78 - 20℃; Further stages.;	51%

: 42997-94-4
(E)-Methyl 4-hydroxypent-2-enoate

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
With phenanthrene In dichloromethane at 25 - 30℃; UV-irradiation;	62%

: 53138-50-4
(+/-)-cis,trans-4-methyl-2-phenylsulfinylbutyrolactone

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
With pyridine In benzene at 110 - 120℃; for 1.5h;	34 mg

: 2-phenylselenenyl-5-methylfuran

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
With dihydrogen peroxide In dichloromethane for 0.5h;	74%

: 624-45-3
levulinic acid methyl ester

A: 591-11-7
5-methyl-5H-furan-2-one

B: 591-12-8
5-methyl-2-furanone

C: 108-29-2
5-methyl-dihydro-furan-2-one

Conditions

Conditions	Yield
With hydrogen In water at 80℃; under 22502.3 Torr; for 1h; Time; Autoclave;

...Expand

: 2052-15-5
butyl levulinate

A: 591-11-7
5-methyl-5H-furan-2-one

B: 591-12-8
5-methyl-2-furanone

C: 108-29-2
5-methyl-dihydro-furan-2-one

Conditions

Conditions	Yield
With hydrogen In water at 80℃; under 22502.3 Torr; for 1h; Autoclave;

...Expand

: 16529-66-1
3-Pentenenitrile

: 3240-34-4
[bis(acetoxy)iodo]benzene

A: 591-11-7
5-methyl-5H-furan-2-one

B: 132280-01-4, 132280-05-8
dihydro-4-acetoxy-5-methyl-2(3H)-furanone

Conditions

Conditions	Yield
With tetrafluoroboric acid In acetic acid at 70℃; for 14h;	A 6% B 58%

...Expand

: 624-45-3
levulinic acid methyl ester

A: 591-11-7
5-methyl-5H-furan-2-one

B: 591-12-8
5-methyl-2-furanone

C: 123-76-2
levulinic acid

D: 108-29-2
5-methyl-dihydro-furan-2-one

Conditions

Conditions	Yield
With hydrogen In water at 80℃; under 22502.3 Torr; for 1.5h; Autoclave;

...Expand

: 53138-46-8
(+/-)-cis,trans-4-methyl-2-phenylsulfanylbutyrolactone

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
With pyridine; 3-chloro-benzenecarboperoxoic acid 2.) PhH; Yield given. Multistep reaction;
Multi-step reaction with 2 steps 1: m-chloroperoxybenzoic acid / CH2Cl2 / 2 h / 0 °C 2: 34 mg / pyridine / benzene / 1.5 h / 110 - 120 °C View Scheme

: 84796-81-6
4-Oxo-2-phenylsulfanyl-pentanoic acid

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: diethyl ether 2: Zn(BH4)2 3: TsOH 4: 1.) mCPBA; 2.) pyr. / 2.) PhH View Scheme
Multi-step reaction with 5 steps 1: diethyl ether 2: Zn(BH4)2 / diethyl ether / 3 h / 0 °C / or NaBH4 3: 63 mg / p-toluenesulfonic acid / benzene / 2 h / 50 °C 4: m-chloroperoxybenzoic acid / CH2Cl2 / 2 h / 0 °C 5: 34 mg / pyridine / benzene / 1.5 h / 110 - 120 °C View Scheme

: 84796-82-7
methyl 4-oxo-2-(phenylthio)pentanoate

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: Zn(BH4)2 2: TsOH 3: 1.) mCPBA; 2.) pyr. / 2.) PhH View Scheme
Multi-step reaction with 4 steps 1: Zn(BH4)2 / diethyl ether / 3 h / 0 °C / or NaBH4 2: 63 mg / p-toluenesulfonic acid / benzene / 2 h / 50 °C 3: m-chloroperoxybenzoic acid / CH2Cl2 / 2 h / 0 °C 4: 34 mg / pyridine / benzene / 1.5 h / 110 - 120 °C View Scheme

: 90670-14-7
4-Hydroxy-2-phenylsulfanyl-pentanoic acid methyl ester

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: TsOH 2: 1.) mCPBA; 2.) pyr. / 2.) PhH View Scheme
Multi-step reaction with 3 steps 1: 63 mg / p-toluenesulfonic acid / benzene / 2 h / 50 °C 2: m-chloroperoxybenzoic acid / CH2Cl2 / 2 h / 0 °C 3: 34 mg / pyridine / benzene / 1.5 h / 110 - 120 °C View Scheme

: 1617-32-9
(E)-3-pentenoic acid

: 3240-34-4
[bis(acetoxy)iodo]benzene

A: 591-11-7
5-methyl-5H-furan-2-one

: 132280-01-4, 132280-05-8
cis-dihydro-4-acetoxy-5-methyl-2(3H)-furanone

Conditions

Conditions	Yield
With tetrafluoroboric acid In acetic acid for 1h; Ambient temperature;	A 41% B 25%

...Expand

: C5H7O2PolSe

: 591-11-7
5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
With dihydrogen peroxide In tetrahydrofuran at 0 - 25℃;

: 98-00-0
(2-furyl)methyl alcohol

: 67-63-0
isopropyl alcohol

A: 591-11-7
5-methyl-5H-furan-2-one

B: 591-12-8
5-methyl-2-furanone

C: 21884-26-4
isopropyl levulinate

D: 113984-01-3
isopropopyl (2-methylfuran) ether

Conditions

Conditions	Yield
With zeolite H-beta at 110℃; for 1.5h; Catalytic behavior; Reagent/catalyst; Temperature; Autoclave;	A n/a B n/a C 7 %Chromat. D 35.4 %Chromat.

...Expand

: 1617-32-9
(E)-3-pentenoic acid

: 3240-34-4
[bis(acetoxy)iodo]benzene

A: 591-11-7
5-methyl-5H-furan-2-one

B: 132280-01-4, 132280-05-8
dihydro-4-acetoxy-5-methyl-2(3H)-furanone

Conditions

Conditions	Yield
With tetrafluoroboric acid; [bis(acetoxy)iodo]benzene In acetic acid for 1h; Ambient temperature;	A 41% B 25%

...Expand

: 98-01-1
furfural

A: 591-11-7
5-methyl-5H-furan-2-one

B: 108-29-2
5-methyl-dihydro-furan-2-one

Conditions

Conditions	Yield
With iso-butanol In water at 119.84℃; for 48h; Reagent/catalyst; Time; Solvent;

: 591-11-7
5-methyl-5H-furan-2-one

: 19918-24-2
2,2'-dimethyl-3',4'-dihydro-2H,2'H-[2,3']bifuranyl-5,5'-dione

Conditions

Conditions	Yield
With bis(2,6-di-tert-butyl-4-methylphenoxide)methylaluminum; triethylamine In dichloromethane at 25℃; for 1h; Catalytic behavior; Reagent/catalyst; Solvent;	99%

: 646-06-0
1,3-DIOXOLANE

: 591-11-7
5-methyl-5H-furan-2-one

: 4-[1,3]Dioxolan-2-yl-5-methyl-dihydro-furan-2-one

Conditions

Conditions	Yield
With (Bu4N)2S2O8 at 30℃; for 0.333333h;	92%

: 591-11-7
5-methyl-5H-furan-2-one

: 5122-94-1
4-biphenylboronic acid

: C17H16O2

Conditions

Conditions	Yield
With chlorobis(ethylene)rhodium(I) dimer; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; triethylamine In ethanol at 20℃; for 12h; Schlenk technique; Inert atmosphere; regioselective reaction;	89%

: 591-11-7
5-methyl-5H-furan-2-one

: 67-63-0
isopropyl alcohol

: (4R,5S)-4-(1-Hydroxy-1-methyl-ethyl)-5-methyl-dihydro-furan-2-one

Conditions

Conditions	Yield
With benzophenone for 1.5h; Addition; Irradiation;	83%

: 591-11-7
5-methyl-5H-furan-2-one

: 40615-36-9
4,4'-dimethoxytrityl chloride

: 4-(bis(4-methoxyphenyl)(phenyl)methyl)-5-methylfuran-2(5H)-one

Conditions

Conditions	Yield
With sodium carbonate at 20℃; for 18h; Sealed tube;	82%

: 591-11-7
5-methyl-5H-furan-2-one

: 768-33-2
phenyldimethylsilyl chloride

: 1397692-64-6
C13H18O2Si

Conditions

Conditions	Yield
Stage #1: phenyldimethylsilyl chloride With lithium doped with sodium In tetrahydrofuran at 0℃; Stage #2: With copper(l) cyanide In tetrahydrofuran at -20℃; for 0.333333h; Stage #3: 5-methyl-5H-furan-2-one Further stages;	80%
Stage #1: phenyldimethylsilyl chloride With lithium In tetrahydrofuran at 0℃; Stage #2: With copper(l) cyanide In tetrahydrofuran at -20℃; for 0.333333h; Stage #3: 5-methyl-5H-furan-2-one In tetrahydrofuran	80%

: 591-11-7
5-methyl-5H-furan-2-one

: 76311-90-5
3-bromo-5-methyl-2(5H)-furanone

Conditions

Conditions	Yield
Stage #1: 5-methyl-5H-furan-2-one With bromine In tetrachloromethane for 1.5h; Heating; Stage #2: With triethylamine at 20℃; for 2h;	66%
Stage #1: 5-methyl-5H-furan-2-one With bromine In tetrachloromethane for 3h; Heating; Stage #2: With triethylamine for 4h;	46%
With bromine at 20 - 90℃; for 20h;	43%
Multi-step reaction with 2 steps 1: Br2 / CCl4 / 1.5 h / Heating 2: Et3N / CCl4 / 2 h / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: Br2 / CCl4 / 15 h / Ambient temperature 2: NEt3 / benzene / 3 h / 0 °C View Scheme

: 591-11-7
5-methyl-5H-furan-2-one

: 108044-53-7
(2E,4E)-3-Ethyl-5-methoxy-penta-2,4-dienoic acid methyl ester

: 134360-94-4
methyl (1R*,2S*,5S*,6R*,9S*)-3-ethyl-5-methoxy-9-methyl-7-oxo-8-oxabicyclo<4.3.0>non-3-ene-2-carboxylate

Conditions

Conditions	Yield
In dichloromethane at 50℃; under 11250900 Torr; for 60h;	65%

: 591-11-7
5-methyl-5H-furan-2-one

: 80522-42-5
triisopropylsilyl trifluoromethanesulfonate

: 203131-20-8
triisopropyl((5-methylfuran-2-yl)oxy)silane

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 2h;	65%
With triethylamine In dichloromethane at 0 - 20℃; for 18h; Inert atmosphere;	64%

: 591-11-7
5-methyl-5H-furan-2-one

: (4R,5S)-4-Hydrazino-5-methyl-dihydro-furan-2-one

B: 5-(1-Hydroxyethyl)-pyrazolidin-3-one

Conditions

Conditions	Yield
With hydrazine In water at 80℃; for 2h;	A n/a B 63%

: 591-11-7
5-methyl-5H-furan-2-one

: 60-34-4
methylhydrazine

: (5R,αS)/(5S,αR)-5-(1-Hydroxyethyl)-1-methylpyrazolidin-3-one

: (4R,5S)-5-Methyl-4-(N-methyl-hydrazino)-dihydro-furan-2-one

Conditions

Conditions	Yield
In water at 80℃; for 2h;	A 61% B n/a
In water at 80℃; for 2h; Mechanism; diastereoselective ring chain transformation, other butenolides;

...Expand

: 591-11-7
5-methyl-5H-furan-2-one

: 58479-61-1
tert-butylchlorodiphenylsilane

: 1397692-77-1
C21H26O2Si

Conditions

Conditions	Yield
Stage #1: tert-butylchlorodiphenylsilane With lithium doped with sodium In tetrahydrofuran at 0℃; Stage #2: With copper(l) cyanide In tetrahydrofuran at -20℃; for 0.333333h; Stage #3: 5-methyl-5H-furan-2-one Further stages;	59%
Stage #1: tert-butylchlorodiphenylsilane With lithium In tetrahydrofuran at 0℃; Stage #2: With copper(l) cyanide In tetrahydrofuran at -20℃; for 0.333333h; Stage #3: 5-methyl-5H-furan-2-one In tetrahydrofuran	59%

: 591-11-7
5-methyl-5H-furan-2-one

: 75233-61-3
2-(2-nitroethoxy)tetrahydro-2H-pyran

: C12H17NO5

Conditions

Conditions	Yield
With phenyl isocyanate; N-ethyl-N,N-diisopropylamine In toluene for 3h; Reflux;	55%

: 591-11-7
5-methyl-5H-furan-2-one

: 99419-44-0, 111822-35-6, 112837-19-1
(2RS,3RS,4RS)-2,3-Epoxy-4-hydroxypentanoic acid

: 98291-94-2, 98320-62-8, 112775-69-6, 136353-59-8
(3RS,4RS,5RS)-3,4-Epoxy-5-methyldihydro-2(3H)-furanone

Conditions

Conditions	Yield
With sodium hypochlorite In pyridine; water 0 deg C, 1 h then r.t. 1.5 h;	A n/a B 54%

: 591-11-7
5-methyl-5H-furan-2-one

: 98291-94-2, 98320-62-8, 112775-69-6, 136353-59-8
(3RS,4RS,5RS)-3,4-Epoxy-5-methyldihydro-2(3H)-furanone

Conditions

Conditions	Yield
With sodium hypochlorite In pyridine Ambient temperature;	54%

: 591-11-7
5-methyl-5H-furan-2-one

: 126971-21-9
(9S)-9-Methyl-1-phenylbicyclo<4.3.0>nona-1(2),3(4)-diene

: C21H24O2

Conditions

Conditions	Yield
With zinc(II) chloride under 4875390 Torr; for 70h; Ambient temperature;	48%

: 591-11-7
5-methyl-5H-furan-2-one

: tetrafluoroboric acid

: bis(triphenylphosphine)(π-carbondisulphide)dicarbonyliron(II)

: [(OC)2Fe(P(C6H5)3)2SCSC4H4O2CH3](1+)*BF4(1-)=[(OC)2Fe(P(C6H5)3)2SCSC4H4O2CH3]BF4

Conditions

Conditions	Yield
In not given	45%

...Expand

: 591-11-7
5-methyl-5H-furan-2-one

: 622-79-7
benzyl azide

A: 4-benzylamino-5-methyl-2(5H)-furanone

: (3aRS,6RS,6aSR)-1-benzyl-3a,4,6,6a-tetrahydro-6-methyl-1H-furo<3,4-d>-1,2,3-triazol-4-one

: (3aRS,6SR,6aSR)-1-benzyl-3a,4,6,6a-tetrahydro-6-methyl-1H-furo<3,4-d>-1,2,3-triazol-4-one

Conditions

Conditions	Yield
at 60℃; for 168h;	A 7% B 44% C 11%

...Expand

5-Methyl-2(5H)-furanone Chemical Properties

Molecular Formula: C₅H₆O₂
Molar mass: 98.0999 g/mol
EINECS: 209-700-2
Density: 1.095 g/cm³
Flash Point: 78.9 °C
Index of Refraction: 1.459
Boiling Point: 210 °C at 760 mmHg
Vapour Pressure: 0.197 mmHg at 25°C
Structure of 5-Methyl-2(5H)-furanone (591-11-7):

XLogP3-AA: 0.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Systematic Name of 5-Methyl-2(5H)-furanone (591-11-7): 5-Methyl-5H-furan-2-one
SMILES: O=C\1OC(/C=C/1)C
InChI: InChI=1/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3
InChIKey: BGLUXFNVVSVEET-UHFFFAOYAU
Std. InChI: InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3
Std. InChIKey: BGLUXFNVVSVEET-UHFFFAOYSA-N

5-Methyl-2(5H)-furanone Toxicity Data With Reference

1.		ipr-mus LD50:750 mg/kg		APTOA6 Acta Pharmacologica et Toxicologica. 2 (1946),109.
2.		orl-cat LDLo:500 mg/kg		JPETAB Journal of Pharmacology and Experimental Therapeutics. 36 (1929),355.

5-Methyl-2(5H)-furanone Safety Profile

Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.

5-Methyl-2(5H)-furanone Specification

5-Methyl-2(5H)-furanone (591-11-7) also can be called Angelica lactone ; 2(5H)-furanone, 5-methyl- ; .DELTA.1-Angelica lactone ; .alpha.,.beta.-Angelica lactone ; 4-Hydroxy-2-pentenoic Acid g-Lactone ;and ; 4-Hydroxy-2-pentenoic acid .gamma.-lactone .

Product Name

BETA-ANGELICA LACTONE

Synthetic route

5-Methyl-2(5H)-furanone Chemical Properties

5-Methyl-2(5H)-furanone Toxicity Data With Reference

5-Methyl-2(5H)-furanone Safety Profile

5-Methyl-2(5H)-furanone Specification

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