CAS No.79-50-5,DL-Pantolactone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79-50-5
Name:	DL-Pantolactone
Article Data:	139

Formula:	C₆H₁₀O₃
Molecular Weight:	130.144
Synonyms:	2(3H)-Furanone,dihydro-3-hydroxy-4,4-dimethyl-, (?à)-;Butyric acid, a,g-dihydroxy-b,b-dimethyl-, g-lactone (4CI);(RS)-Pantolactone;2,4-Dihydroxy-3,3-dimethylbutanoic acid g-lactone;2-Hydroxy-3,3-dimethyl-g-butyrolactone;3-Hydroxy-4,4-dimethyl-2-oxotetrahydrofuran;3-Hydroxydihydro-4,4-dimethyl-2(3H)-furanone;DL-Pantoic acid g-lactone;DL-Pantoyl lactone;Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone;NSC 135788;NSC 5926;a-Hydroxy-b,b-dimethyl-g-butyrolactone;
EINECS:	201-210-7
Density:	1.165 g/cm³
Melting Point:	74-78 °C(lit.)
Boiling Point:	224.6 °C at 760 mmHg
Flash Point:	99 °C
Appearance:	White needles.
Risk Codes:	36/37/38
Safety:	22-24/25
PSA:	49.83000
LogP:	-0.06970

Synthetic route

: 137-08-6, 867-80-1, 6381-62-0, 6381-63-1, 15773-29-2, 64789-49-7, 122484-60-0, 131346-21-9
calcium-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-β-alaninate

A: 79-50-5
pantolactone

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

Conditions

Conditions	Yield
With hydrogenchloride In water at 80℃; for 1.75h; Rate constant;	A 100% B 100%

: 75033-16-8
pantothenic acid sodium salt

A: 79-50-5
pantolactone

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

Conditions

Conditions	Yield
With hydrogenchloride In water at 80℃; for 1.25h; Rate constant;	A 100% B 100%

: 13031-04-4
ketopantolactone

: 79-50-5
pantolactone

Conditions

Conditions	Yield
With hydrogen; Et4N	99%
With F6P(1-)*C20H36IrN6P2(1+); hydrogen In water at 80℃; under 15001.5 Torr; for 4h; Catalytic behavior; Reagent/catalyst; Time; Autoclave; Green chemistry;	99.9%
With iron(II) triflate; phenanthridine; triiron dodecarbonyl; hydrogen In 1,4-dioxane at 65℃; under 37503.8 Torr; for 24h; Autoclave;	91%

: 773837-37-9
sodium cyanide

: 597-31-9
2,2-dimethyl-3-hydroxypropionaldehyde

: 79-50-5
pantolactone

Conditions

Conditions	Yield
With sulfuric acid for 3h; pH=9.5; Reflux;	98.9%
With sulfuric acid In water at 100℃; for 1h;	86.9%

: 470-29-1
(+-)-2,4-dihydroxy-3,3-dimethyl-butyric acid

: 79-50-5
pantolactone

Conditions

Conditions	Yield
With sulfuric acid at 80 - 85℃; for 3h; Temperature;	98.3%

: 597-31-9
2,2-dimethyl-3-hydroxypropionaldehyde

: 74-90-8
hydrogen cyanide

: 79-50-5
pantolactone

Conditions

Conditions	Yield
Stage #1: 2,2-dimethyl-3-hydroxypropionaldehyde; hydrogen cyanide In water at 0 - 10℃; for 0.25h; Stage #2: With sulfuric acid for 1h; Reflux;	93.1%
Verseifung des Reaktionsprodukts mit Salzsaeure;

: 10232-92-5
(R,S)-2,4-Dihydroxy-3,3-dimethylbutyronitrile

: 79-50-5
pantolactone

Conditions

Conditions	Yield
With sulfuric acid for 6h; Reagent/catalyst; Reflux;	92.5%
With ammonium hydroxide; sulfuric acid at 94 - 96℃; under 435.044 Torr; for 2.25h; pH=5.0; Pressure; Temperature; pH-value; Inert atmosphere;

: 134734-33-1
pantolactone p-nitrobenzoate

: 79-50-5
pantolactone

Conditions

Conditions	Yield
With lithium hydroxide In methanol; water for 0.166667h; Ambient temperature;	90%

: 100618-94-8
N-benzyl-2,4-dihydroxy-3,3-dimethylbutyramide

A: 79-50-5
pantolactone

B: 1-benzyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In diethylene glycol dimethyl ether for 5h; Heating;	A 14 % Spectr. B 69%

: 924-44-7
glyoxylic acid ethyl ester

: 78-83-1
2-methyl-propan-1-ol

: 79-50-5
pantolactone

Conditions

Conditions	Yield
Stage #1: glyoxylic acid ethyl ester; 2-methyl-propan-1-ol With N-(2-hydroxyethyl)pyrrolidine-2-carboxamide In toluene; tert-butyl alcohol at 20℃; for 24h; Stage #2: With [RhCl2(p-cymene)]2; sodium formate In water; toluene; tert-butyl alcohol Reagent/catalyst; Temperature; Inert atmosphere;	62%

Raw Materials

15206-55-0

100618-94-8

50-00-0

617-35-6

3715-29-5

137-08-6

4417-86-1

597-31-9

Downstream Products

599-04-2

Total:87 Page 1 of 3 1 2 3 Next>>

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Specification

The 2(3H)-Furanone,dihydro-3-hydroxy-4,4-dimethyl-, with CAS registry number 79-50-5, belongs to the following product category: Pharmaceutical Intermediates. It has the systematic name of 3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one. When use this chemical, do not breathe dust and avoid contact with skin and eyes. The main use of this chemical is for the intermediate of pantothenicacid. What's more, its EINECS is 201-210-7.

Physical properties of 2(3H)-Furanone,dihydro-3-hydroxy-4,4-dimethyl-: (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.

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