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calcium-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-β-alaninate
A
pantolactone
B
3-amino propanoic acid
Conditions | Yield |
---|---|
With hydrogenchloride In water at 80℃; for 1.75h; Rate constant; | A 100% B 100% |
Conditions | Yield |
---|---|
With hydrogenchloride In water at 80℃; for 1.25h; Rate constant; | A 100% B 100% |
ketopantolactone
pantolactone
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% |
Conditions | Yield |
---|---|
With sulfuric acid for 3h; pH=9.5; Reflux; | 98.9% |
With sulfuric acid In water at 100℃; for 1h; | 86.9% |
Conditions | Yield |
---|---|
With sulfuric acid at 80 - 85℃; for 3h; Temperature; | 98.3% |
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; |
(R,S)-2,4-Dihydroxy-3,3-dimethylbutyronitrile
pantolactone
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; |
pantolactone p-nitrobenzoate
pantolactone
Conditions | Yield |
---|---|
With lithium hydroxide In methanol; water for 0.166667h; Ambient temperature; | 90% |
N-benzyl-2,4-dihydroxy-3,3-dimethylbutyramide
A
pantolactone
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In diethylene glycol dimethyl ether for 5h; Heating; | A 14 % Spectr. B 69% |
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% |
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