structural formula
| business number | 01q1 |
|---|---|
| molecular formula | c6h10o3 |
| molecular weight | 130.14 |
| label |
dl-2-hydroxy-3,3-dimethyl-4-butyrolactone, dl-α-hydroxy-β,β-dimethyl-γ-butyrolactone, dihydro-3-hydroxy-4,4-dimethyl-2(3h)-furanone, dl-pantolactone |
numbering system
cas number:79-50-5
mdl number:mfcd00064333
einecs number:201-210-7
rtecs number:none
brn number:80958
pubchem number:24879247
physical property data
1. characteristics: deliquescent columnar crystals.
2. density (g/ml,25/4℃): unsure
3. relative vapor density (g/ml,air=1): unsure
4. melting point (ºc):80 ℃
5. boiling point (ºc,normal pressure):130℃（ 2.4kpa)
6. boiling point (ºc,5.2kpa): unsure
7. refractive index: uncertain
8. flash point (ºc): unsure
9. specific optical rotation (º): unsure
10. autoignition point or ignition temperature (ºc): unsure
11. vapor pressure (kpa,25ºc): unsure
12.3. isotonic specific volume (90.2k): 277.4
4. surface tension (dyne/cm):38.1
5. polarizability（10-24cm3):12.32
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 0.5
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 0
5. number of tautomers: 3
6. topological molecule polar surface area 46.5
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 139
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
this product should be sealed and stored in a cool place.
synthesis method
produced from isobutyraldehyde2,2-dimethyl-3-after adding hydroxypropionaldehyde with sodium cyanide, it is obtained by hydrolysis, acidification and lactonization. 2,2- dimethyl-3- dissolve hydroxypropionaldehyde in water, put it into the reaction pot, and then add sodium cyanide aqueous solution and calcium chloride aqueous solution. stir well and add 50% sulfuric acid solution. the reaction produces highly toxic hydrogen cyanide tail gas, which is absorbed by ferrous sulfate solution. at60-65℃ reaction6hafter that, heat up to80-85℃ reaction3h, reduce stress concentrate, add 95%95% -size: 9pt; font-family: 宋体; mso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-font-kerning: 0pt; mso-bidi-font-family: arial”> ethanol precipitates inorganic salts. filtration, the filtrate is decompressed to recover ethanol and then fractionated to collect130-145 ℃（1.33-2.44 kpa) fraction, get dl-panthenolactone.
purpose
this product is an intermediate of pantothenic acid and is also used in other organic synthesis.
arial; mso-font-kerning: 0pt”>-3-hydroxypropionaldehyde is added with sodium cyanide, and then hydrolyzed, acidified, and lactonized to obtain it.2,2-dimethyl -3-hydroxypropyl dissolve the aldehyde in water, put it into the reaction pot, then add sodium cyanide aqueous solution and calcium chloride aqueous solution. stir evenly and add 50%sulfuric acid solution. the reaction produces highly toxic hydrogen cyanide tail gas, which is absorbed by ferrous sulfate solution. at60-65℃ reaction6hafter that, heat up to80-85℃ reaction3h, reduce stress concentrate, add 95%95% -size: 9pt; font-family: 宋体; mso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-font-kerning: 0pt; mso-bidi-font-family: arial”> ethanol precipitates inorganic salts. filtration, the filtrate is decompressed to recover ethanol and then fractionated to collect130-145 ℃（1.33-2.44 kpa) fraction, get dl-panthenolactone.
purpose
this product is an intermediate of pantothenic acid and is also used in other organic synthesis.
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