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Conditions | Yield |
---|---|
With water; potassium carbonate at 25℃; Aldol Condensation; Cooling with ice; | 92% |
With triethylamine In water for 3h; Heating; | 91% |
With sodium hydroxide at 80℃; for 0.516667h; Temperature; Aldol Condensation; | 91.14% |
2-methyl-1,2-epoxypropane
carbon monoxide
2,2-dimethyl-3-hydroxypropionaldehyde
Conditions | Yield |
---|---|
Stage #1: 2-methyl-1,2-epoxypropane With rhodium (II) octanoate dimer; boron trifluoride at 50℃; for 0.5h; Inert atmosphere; Stage #2: carbon monoxide With hydrogen at 90℃; under 75007.5 Torr; Reagent/catalyst; Temperature; Pressure; | 90.3% |
formaldehyd
trimethylsilyl propenyl ether
2,2-dimethyl-3-hydroxypropionaldehyde
Conditions | Yield |
---|---|
With titanium tetrachloride In dichloromethane at 50℃; | 85% |
isobutyraldehyde
A
2,2-dimethyl-3-hydroxypropionaldehyde
B
2,2-dimethyl-3-hydroxy-propyl 2,2-dimethyl-3-hydroxypropionate
C
2,2-dimethyl-3-hydroxypropyl 2-methylpropionate
D
2,2-Dimethyl-1,3-propanediol
Conditions | Yield |
---|---|
With triethylamine at 65 - 90℃; for 0.666667h; Nitrogen atmosphere; | A 62.4% B 2% C 0.26% D 0.64% |
2-(1,1-dimethyl-2-hydroxyethyl)-1,3-dithiane
2,2-dimethyl-3-hydroxypropionaldehyde
Conditions | Yield |
---|---|
With acetic acid at 35℃; for 8h; | 42% |
2,2-dimethyl-3-hydroxypropionaldehyde
Conditions | Yield |
---|---|
With sulfuric acid |
potassium cyanide
A
2,2-dimethyl-3-hydroxypropionaldehyde
B
2,4-dihydroxy-3,3-dimethyl-butyraldehyde
3-Deoxy-3,3-di-C-methyl-α-DL-glycero-tetrose
Conditions | Yield |
---|---|
With hydrogen; Pd-BaSO4 1) water, 15 min, pH 7.7 2) pH 1.7; Multistep reaction. Title compound not separated from byproducts; |
Conditions | Yield |
---|---|
With cyclohexanone; bis(cyclopentadienyl)dihydrozirconium at 150℃; for 8h; | 66 % Chromat. |
With sodium nitrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; silver nitrate In water for 7h; Irradiation; regioselective reaction; |
2,2-Dimethyl-1,3-propanediol
A
2,2-dimethyl-3-hydroxypropionaldehyde
B
2,2-dimethylmalonaldehyde
Conditions | Yield |
---|---|
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethylsulfoxide-d6 at 23℃; Product distribution; product ratio was determined by 1H NMR; |
Molecular Structure of 3-Hydroxy-2,2-dimethylpropanal (CAS NO.597-31-9):
IUPAC Name: 3-Hydroxy-2,2-dimethylpropanal
Molecular Formula: C5H10O2
Molecular Weight: 102.13
EINECS: 209-895-4
XLogP3-AA: -0.1
H-Bond Donor: 1
H-Bond Acceptor: 2
Index of Refraction: 1.421
Molar Refractivity: 26.9 cm3
Molar Volume: 105.9 cm3
Surface Tension: 31.9 dyne/cm
Density: 0.964 g/cm3
Flash Point: 60.3 °C
Enthalpy of Vaporization: 51.26 kJ/mol
Boiling Point: 204.4 °C at 760 mmHg
Vapour Pressure: 0.0632 mmHg at 25 °C
Canonical SMILES: CC(C)(CO)C=O
InChI: InChI=1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3
InChIKey: JJMOMMLADQPZNY-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1600mg/kg (1600mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0533626, |
mouse | LD50 | oral | 3200mg/kg (3200mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0533626, |
rat | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0533626, |
rat | LD50 | oral | 3200mg/kg (3200mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0533626, |
3-Hydroxy-2,2-dimethylpropanal (CAS NO.597-31-9), its Synonyms are 2,2-Dimethyl-3-hydroxypropanal ; 2,2-Dimethyl-beta-hydroxypropionaldehyde ; 2-(Hyroxymethyl)-2-methylpropanal ; 3-Hydroxypivalaldehyde ; Hydracrylaldehyde, 2,2-dimethyl- ; Hydroxypivalaldehyde ; Hydroxypivaldehyde ; Pentaaldol ; Pentaldol ; Propanal, 3-hydroxy-2,2-dimethyl- ; Propionaldehyde, 3-hydroxy-2,2-dimethyl- ; alpha,alpha-Dimethyl-beta-hydroxypropionaldehyde ; Hydracrylaldehyde, 2,2-dimethyl- (6CI,7CI,8CI) ; Propanal, 2,2-dimethyl-3-hydroxy- .