D-(-)-Pantolactone supplier

Name
D-(-)-PANTOLACTONE
EINECS 209-963-3
CAS No. 599-04-2
Article Data147
CAS DataBase
Density 1.165 g/cm³
Solubility almost transparency
Melting Point 91 °C(lit.)
Formula C₆H₁₀O₃
Boiling Point 224.6 °C at 760 mmHg
Molecular Weight 130.144
Flash Point 99 °C
Transport Information
Appearance White crystalline powder or crystals
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2(3H)-Furanone,dihydro-3-hydroxy-4,4-dimethyl-, (R)-;2(3H)-Furanone,dihydro-3-hydroxy-4,4-dimethyl-, D-(-)- (8CI);(-)-(R)-Pantolactone;(-)-2-Hydroxy-3,3-dimethyl-g-butyrolactone;(-)-Pantolactone;(-)-Pantoyl lactone;(3R)-Tetrahydro-3-hydroxy-4,4-dimethylfuran-2-one;(R)-(-)-Pantolactone;(R)-3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one;(R)-Pantolactone;(R)-a-Hydroxy-b,b-dimethyl-g-butyrolactone;D-(-)-Pantolactone;D-(-)-Pantoyl lactone;D-(-)-a-Hydroxy-b,b-dimethyl-g-butyrolactone;D-Pantolactone;D-Pantoyl lactone;Pantolactone;Pantothenic lactone;Pantoyl lactone;
PSA 46.53000
LogP -0.06970

Synthetic route

: 13031-04-4
ketopantolactone

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With chiral Rh complex derived from N,O-bis(dicyclopentylphosphinyl)-(S)-2-hydroxymethylindoline; hydrogen In toluene at 20℃; under 750.06 Torr; for 0.17h;	100%
With (R)-N-dicyclohexylphosphino-N-methyl-[(S)-2-(diphenylphosphino)ferrocenyl]ethylamine; hydrogen; bis(cycloocta-1,5-diene)rhodium(I) trifluoromethanesulfonate In ethyl acetate at 25℃; under 15514.4 Torr; for 1.25h;	99%
With D-glucose; Rhodotorula minuta IFO 0920 at 28℃; for 36h;	80.3%

: D-potassium pantoate

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With hydrogenchloride In water at 20℃; for 0.5h; pH=1 - 2; Reagent/catalyst;	96.9%

: 107730-03-0
(R)-2,4-dihydroxy-N-<(1R)-2-endo-hydroxy-3-endo-bornyl>-3,3-dimethylbutyramide

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 40℃; for 1h;	96.8%

: 13031-04-4
ketopantolactone

A: 79-50-5, 599-04-2, 5405-40-3, 52126-90-6
(S)-pantolactone

B: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With hydrogen; chloro(1,5-cyclooctadiene)rhodium(I) dimer; (2S,4S)-N-butoxycarbonyl-4-diphenylphosphino-2-diphenylphosphinomethylpyrrolidine In toluene at 50℃; under 37503 Torr; for 45h; Yields of byproduct given. Title compound not separated from byproducts;	A n/a B 95%
With hydrogen; (S)-Cp-isoAlaNOP - 2 In toluene at 20℃; under 760 Torr; for 0.5h; Title compound not separated from byproducts;
With magnesium(II) perchlorate; (S)-3-(N,N-dimethylcarbamoyl)-1,2,4-trimethyl-1,4-dihydropyridine In [D3]acetonitrile -25 degC to r.t, 1 h;

: 60979-68-2
D-sodium pantoate

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With hydrogenchloride In water at 20℃; for 0.5h; pH=1 - 2; Reagent/catalyst;	94.7%

: 133094-78-7
3-(tert-butyldimethylsilanyloxy)-4,4-dimethyldihydro-2(3H)-furan-2-one

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With phosphomolybdic acid hydrate; silica gel In tetrahydrofuran at 20℃; for 12h;	94%
With iron(III) p-toluenesulfonate hexahydrate In methanol for 27.5833h; Reflux; chemoselective reaction;	84%

: 20374-33-8
(R)-(+)-3-(Benzyloxy)-4,5-dihydro-4,4-dimethyl-furan-2(3H)-on

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In methanol optical yield given as %ee;	93%

: 1196498-52-8
2(R)-hydroxy-3,3-dimethyl-4-oxo-butxyric acid ethyl ester

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With sodium tetrahydroborate In methanol at 0℃;	93%
With sodium cyanoborohydride In methanol Reagent/catalyst; Solvent; Cooling with ice;	93%
Multi-step reaction with 2 steps 1.1: sodium tetrahydroborate / diethyl ether / 20 °C 1.2: Saturated solution 2.1: toluene-4-sulfonic acid / diethyl ether / 20 °C View Scheme
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; (R)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide; sodium formate In water; tert-butyl alcohol at 40℃; for 1h; Temperature; Reagent/catalyst; Inert atmosphere;

: (R)-4-Chloro-2-hydroxy-3,3-dimethyl-butyronitrile

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With hydrogenchloride at 115℃; for 5h;	88%

: methyl 2-hydroxy-3,3-dimethyl-4-oxobutanoate

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol Cooling with ice;	87%

: 1112-33-0
D-pantoic acid

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
at 90 - 95℃;	85%

: (R)-2-Hydroxy-4-methoxy-3,3-dimethyl-butyronitrile

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With hydrogenchloride at 115℃; for 5h;	78%

: 28227-36-3
(R)-acetic acid 4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl ester

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With sodium methylate In methanol for 0.5h; Ambient temperature;	76.6%

: (R)-4-Bromo-2-hydroxy-3,3-dimethyl-butyronitrile

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With hydrogenchloride at 115℃; for 5h;	65%

: 134929-92-3
(R)-2,4-Dihydroxy-3,3-dimethylbutyronitrile

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With hydrogenchloride for 8.5h; Ambient temperature;	62%
With hydrogenchloride In methanol; water at 20℃; Reflux;

: (R)-4-Allyloxy-2-hydroxy-3,3-dimethyl-butyronitrile

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With hydrogenchloride at 115℃; for 5h;	62%

: 158045-18-2
(R)-2,4-Bis-(tert-butyl-dimethyl-silanyloxy)-3,3-dimethyl-butyric acid

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In chloroform	60%

: 67-56-1
methanol

: 861855-32-5
C13H18O6

A: 861855-40-5
C8H12O4

B: methyl-2,3-dideoxy-4,6-O-methylene-D-erythro-hex-2-enopyranoside

C: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
lanthanum(lll) triflate In acetonitrile at 20℃; for 15h; Product distribution / selectivity;	A n/a B n/a C 60%
erbium(III) triflate In acetonitrile Product distribution / selectivity;
scandium tris(trifluoromethanesulfonate) In acetonitrile Product distribution / selectivity;
iron(III) chloride In acetonitrile Product distribution / selectivity;

...Expand

: (R)-4-Ethoxy-2-hydroxy-3,3-dimethyl-butyronitrile

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With hydrogenchloride at 115℃; for 5h;	55%

: 67-56-1
methanol

: 861855-32-5
C13H18O6

A: methyl-2,3-dideoxy-4,6-O-methylene-D-erythro-hex-2-enopyranoside

B: 1222471-59-1
C9H16O5

C: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With 10M acid-treated K10 Montmorillonite at 40℃; for 8h; optical yield given as %ee;	A 18% B 13% C 35%

...Expand

: 28227-35-2
(RS)-2-acetoxy-3,3-dimethyl-γ-butyrolactone

A: 79-50-5, 599-04-2, 5405-40-3, 52126-90-6
(S)-pantolactone

B: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With yeast lipase; butan-1-ol In di-isopropyl ether at 30℃; for 336h; Title compound not separated from byproducts;
With sodium phosphate buffer; esterase B from Candida antarctica In water at 37℃; for 1h; pH=7.3; Product distribution;

: 79-83-4
pantothenic acid

A: 599-04-2
(R)-Pantolacton

B: 107-95-9
3-amino propanoic acid

Conditions

Conditions	Yield
With pantothenase UK-1 at 25℃; Equilibrium constant;

: 1902-01-8
DL-sodium pantoate

A: 79-50-5, 599-04-2, 5405-40-3, 52126-90-6
(S)-pantolactone

B: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With (+)-10-camphorsulfonic acid In various solvent(s) in 99.5 percent EtOH; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With (1S)-(+)-camphorsulfonic acid monohydrate In various solvent(s) at -78℃; Product distribution; 99.5 percent EtOH;

: 144762-89-0
C22H38N2O8

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With hydrogenchloride at 90℃; for 12h;

: Acetic acid (R)-3-cyano-3-hydroxy-2,2-dimethyl-propyl ester

A: 79-50-5, 599-04-2, 5405-40-3, 52126-90-6
(S)-pantolactone

B: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With hydrogenchloride at 115℃; for 5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: (R)-4-Benzyloxy-2-hydroxy-3,3-dimethyl-butyronitrile

A: 79-50-5, 599-04-2, 5405-40-3, 52126-90-6
(S)-pantolactone

B: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With hydrogenchloride at 115℃; for 5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: (R)-4,4-Dimethyl-3-((S)-1-phenyl-ethoxy)-dihydro-furan-2-one

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol

: 171884-77-8
R(-)pantoyllactone-β-D-glucopyranoside

: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With ammonium sulfate; potassium phosphate buffer In water Ambient temperature; β-glucosidase presence;

: 160289-70-3
(R)-(1-naphthyl)-glycyl-(R)-phenylglycine

: 79-50-5
pantolactone

A: 599-04-2
(R)-Pantolacton

B: (R)-((R)-2-Amino-2-naphthalen-1-yl-acetylamino)-phenyl-acetic acid; compound with (S)-3-hydroxy-4,4-dimethyl-dihydro-furan-2-one

C: (R)-((R)-2-Amino-2-naphthalen-1-yl-acetylamino)-phenyl-acetic acid; compound with (R)-3-hydroxy-4,4-dimethyl-dihydro-furan-2-one

Conditions

Conditions	Yield
In methanol Ambient temperature; Yield given; Title compound not separated from byproducts;

...Expand

: 3-diphenylsilanyloxy-4,4-dimethyl-dihydro-furan-2-one

A: 79-50-5, 599-04-2, 5405-40-3, 52126-90-6
(S)-pantolactone

B: 599-04-2
(R)-Pantolacton

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In methanol Hydrolysis; Title compound not separated from byproducts;

: 358-23-6
trifluoromethylsulfonic anhydride

: 599-04-2
(R)-Pantolacton

: 157717-57-2
(3R)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl trifluoromethanesulfonate

Conditions

Conditions	Yield
With pyridine In dichloromethane at -78 - 23℃; for 3.5h; Inert atmosphere;	100%
With pyridine In dichloromethane at 20℃; for 19.0667h; Inert atmosphere; Cooling with acetone-dry ice;	98%
In pyridine; dichloromethane at -78 - 20℃; for 1.16667h; Inert atmosphere;	96%

: 98-88-4
benzoyl chloride

: 599-04-2
(R)-Pantolacton

: (R)-benzoic acid 4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl ester

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 0℃; for 0.5h;	100%
With dmap; triethylamine In dichloromethane at 0 - 5℃;	90.59%

: 107-15-3
ethylenediamine

: 599-04-2
(R)-Pantolacton

: 616235-99-5
(2R)-N-(2-aminoethyl)-2,4-dihydroxy-3,3-dimethylbutyramide

Conditions

Conditions	Yield
at 55℃;	100%
In ethanol at 120℃; for 2h; Microwave irradiation;	37%
at 55℃;

: 74-89-5
methylamine

: 599-04-2
(R)-Pantolacton

: 88308-84-3
(R)-2,4-dihydroxy-N-3,3-trimethylbutanamide

Conditions

Conditions	Yield
In methanol; water at 25℃; for 3h; Inert atmosphere;	100%
In methanol at 20℃; for 3h; Inert atmosphere;	97%

: 4-methoxybenzyl-2,2,2-trichloroacetimidate

: 599-04-2
(R)-Pantolacton

: (3R)-3-(4-methoxybenzyloxy)-4,4-dimethyltetrahydrofuran-2-one

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In diethyl ether at 0 - 20℃; for 1h; Inert atmosphere;	100%

: 80522-42-5
triisopropylsilyl trifluoromethanesulfonate

: 599-04-2
(R)-Pantolacton

: (R)-4,4-dimethyl-3-((triisopropylsilyl)oxy)dihydrofuran-2(3H)-one

Conditions

Conditions	Yield
With 2,6-dimethylpyridine In dichloromethane at 20℃; for 96h; Inert atmosphere;	100%

: 599-04-2
(R)-Pantolacton

: 56-12-2
4-amino-n-butyric acid

: 18679-90-8
hopantenic acid

Conditions

Conditions	Yield
Stage #1: 4-amino-n-butyric acid With sodium hydroxide In water Stage #2: (R)-Pantolacton at 130℃; for 17h; Inert atmosphere;	99%
With triethylamine In methanol at 65℃; for 24h; Inert atmosphere;	89%
With diethylamine In methanol at 60℃;	53%
With sodium methylate
With diethylamine In methanol

: 599-04-2
(R)-Pantolacton

: 60-32-2
6-aminohexanoic acid

: N-((R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-6-aminohexanoic acid

Conditions

Conditions	Yield
With N,N,N',N'-tetramethylguanidine In methanol at 26℃; for 40h;	99%
With diethylamine In methanol

: 18162-48-6
tert-butyldimethylsilyl chloride

: 599-04-2
(R)-Pantolacton

: 133094-78-7
3-(tert-butyldimethylsilanyloxy)-4,4-dimethyldihydro-2(3H)-furan-2-one

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 0 - 20℃; for 2.5h;	99%
With 1H-imidazole In N,N-dimethyl-formamide at 0 - 20℃; for 3h;	99%
With 1H-imidazole In tetrahydrofuran at 20℃; for 24h; Substitution;	97%

: 599-04-2
(R)-Pantolacton

: 27778-35-4
(R)-2,4-Dihydroxy-3,3-dimethylbutyramide

Conditions

Conditions	Yield
With ammonia Inert atmosphere;	99%
With ammonia In methanol at 20℃; for 24h;	99%
at 20 - 60℃; for 6h;	95%

: 81927-55-1
O-benzyl 2,2,2-trichloroacetimidate

: 599-04-2
(R)-Pantolacton

: 20374-33-8
(R)-(+)-3-(Benzyloxy)-4,5-dihydro-4,4-dimethyl-furan-2(3H)-on

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃; for 15h;	98%
With trifluorormethanesulfonic acid In hexane; dichloromethane for 1h;	83%
With trifluorormethanesulfonic acid In dichloromethane benzylation;

: 124-40-3
dimethyl amine

: 599-04-2
(R)-Pantolacton

: D(-)2R,4-dihydroxy-3,3-dimethyl-N,N-dimethyl-butyramide

Conditions

Conditions	Yield
In ethanol for 72h;	98%

: 3518-65-8
monochloromethanesulfonyl chloride

: 599-04-2
(R)-Pantolacton

: 182243-70-5
Chloro-methanesulfonic acid (R)-4,4-dimethyl-2-oxo-tetrahydro-furan-3-yl ester

Conditions

Conditions	Yield
With pyridine at 0 - 20℃; for 0.166667h;	98%

: 599-04-2
(R)-Pantolacton

: 60856-63-5
(2R)-(-)-3,3-dimethylbutane-1,2,4-triol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran Heating;	97%
Stage #1: (R)-Pantolacton With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 4h; Stage #2: With sulfuric acid; sodium sulfate In tetrahydrofuran; water pH=Ca. 3;	88%
Stage #1: (R)-Pantolacton With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; Stage #2: With sodium hydroxide; water In tetrahydrofuran at 0℃;	82%

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

: 599-04-2
(R)-Pantolacton

: (R)-2,4-Dihydroxy-3,3-dimethyl-N-((S)-1-phenyl-ethyl)-butyramide

Conditions

Conditions	Yield
With triethylamine In ethanol for 7h; Heating;	97%

: 3196-73-4
methyl 3-aminopropanoate hydrochloride

: 599-04-2
(R)-Pantolacton

: C8H15NO5

Conditions

Conditions	Yield
Stage #1: methyl 3-aminopropanoate hydrochloride With diethylamine In methanol at 0℃; for 0.25h; Inert atmosphere; Stage #2: (R)-Pantolacton In methanol at 60℃; for 20h; Inert atmosphere;	97%

: 29900-93-4
(1R,2R,3S,4S)-3-Amino-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-ol

: 599-04-2
(R)-Pantolacton

: 107730-03-0
(R)-2,4-dihydroxy-N-<(1R)-2-endo-hydroxy-3-endo-bornyl>-3,3-dimethylbutyramide

Conditions

Conditions	Yield
In ethanol at 78℃; for 3h;	96.2%

: 674-82-8
4-methyleneoxetan-2-one

: 599-04-2
(R)-Pantolacton

: 186899-17-2
(R)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl 3-oxobutanoate

Conditions

Conditions	Yield
With sodium acetate In acetonitrile for 2h; Heating;	96%

: 107-30-2
chloromethyl methyl ether

: 599-04-2
(R)-Pantolacton

: 165450-30-6
3R-(-)-dihydro-4,4-dimethyl-3-<(methoxymethyl)oxy>-2(3H)-furanone

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 40℃; for 20h;	96%
With N-ethyl-N,N-diisopropylamine In dichloromethane; toluene at 0℃; for 24h; Reflux;	95%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 48h; Inert atmosphere;	90%
With sodium hydride In tetrahydrofuran for 1h; Ambient temperature;	89%
With lithium diisopropyl amide In dichloromethane Ambient temperature;	75%

: 16640-68-9
cyanomethylene triphenylphosphorane

: 599-04-2
(R)-Pantolacton

: [(R)-3-Hydroxy-4,4-dimethyl-dihydro-furan-(2E)-ylidene]-acetonitrile

Conditions

Conditions	Yield
In toluene for 0.0666667h; Condensation; Irradiation;	96%

: 98-59-9
p-toluenesulfonyl chloride

: 599-04-2
(R)-Pantolacton

: 20374-31-6
O-(toluene-4-sulfonyl)-D-pantolactone

Conditions

Conditions	Yield
dmap In pyridine Ambient temperature;	95%
With pyridine

: 156-87-6
propan-1-ol-3-amine

: 599-04-2
(R)-Pantolacton

: 81-13-0
pantothenol

Conditions

Conditions	Yield
With triethylamine In ethanol at 160℃; for 3h; Microwave irradiation;	95%
With methanol
at 60℃; for 5h;

: 124-22-1
n-Dodecylamine

: 599-04-2
(R)-Pantolacton

: 117801-01-1
(2R)-N-Dodecyl-2,4-dihydroxy-3,3-dimethylbutanamid

Conditions

Conditions	Yield
at 115℃; for 3h;	95%

: 1914-59-6
(E)-2-oxo-4-phenyl-3-butenoic acid

: 599-04-2
(R)-Pantolacton

: (E)-2-Oxo-4-phenyl-but-3-enoic acid (R)-4,4-dimethyl-2-oxo-tetrahydro-furan-3-yl ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃;	95%

: 599-04-2
(R)-Pantolacton

: 447407-66-1
6,8-dimethoxy-3-(1-methyl-2-oxo-vinyl)-isochromen-1-one

: 447407-65-0
(R)-2-(6,8-Dimethoxy-1-oxo-1H-isochromen-3-yl)-propionic acid (R)-4,4-dimethyl-2-oxo-tetrahydro-furan-3-yl ester

Conditions

Conditions	Yield
at -40℃; for 1.66667h;	95%

: 83171-39-5
4-(methylthio)benzylamine

: 599-04-2
(R)-Pantolacton

: 1227380-62-2
(R)-(+)-2,4-dihydroxy-3,3-dimethyl-N-(4-methyl-sulfanyl-benzyl)butyramide

Conditions

Conditions	Yield
In toluene at 65℃; Inert atmosphere;	95%

D-(-)-Pantolactone Specification

The 2(3H)-Furanone,dihydro-3-hydroxy-4,4-dimethyl-, (3R)-, with CAS registry number 599-04-2, belongs to the following product category: Pharmaceutical Intermediates. It has the systematic name of 3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one. This chemical is a kind of white crystalline powder or crystals. And it should be stored at the temperature of 2-8°C. When use it, do not breathe dust and avoid contact with skin and eyes.

Physical properties of 2(3H)-Furanone,dihydro-3-hydroxy-4,4-dimethyl-, (3R)-: (1)ACD/LogP: -0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.8; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.74; (8)ACD/KOC (pH 7.4): 8.74; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 31.09 cm³; (15)Molar Volume: 111.6 cm³; (16)Polarizability: 12.32×10^-24cm³; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.165 g/cm³; (19)Flash Point: 99 °C; (20)Enthalpy of Vaporization: 53.61 kJ/mol; (21)Boiling Point: 224.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0181 mmHg at 25°C.

Preparation: this chemical can be prepared by (2S)-3,3-Dimethylbernsteinsaeure-4-methylester. This reaction will need reagent (C₂H₅)₃LiBH and solvent tetrahydrofuran. The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCC(C)(C)C1O
(2)InChI: InChI=1/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3
(3)InChIKey: SERHXTVXHNVDKA-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3
(5)Std. InChIKey: SERHXTVXHNVDKA-UHFFFAOYSA-N

Product Name

D-(-)-PANTOLACTONE

Synthetic route

D-(-)-Pantolactone Specification

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