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| CAS No.: | 4835-90-9 |
|---|---|
| Name: | 3-Hydroxypivalic acid |
| Article Data: | 35 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H10O3 |
| Molecular Weight: | 118.133 |
| Synonyms: | Hydracrylicacid, 2,2-dimethyl- (6CI,7CI,8CI);2,2-Dimethyl-3-hydroxypropanoic acid;2,2-Dimethyl-3-hydroxypropionic acid;2,2-Dimethylhydracrylic acid;3-Hydroxy-2,2-dimethylpropanoic acid;3-Hydroxy-2,2-dimethylpropionic acid;Hydroxypivalic acid;NSC 115936;Oxypivalic acid;a,a-Dimethyl-b-hydroxypropionicacid; |
| EINECS: | 225-419-8 |
| Density: | 1.144 g/cm3 |
| Melting Point: | -16 °C(lit.) |
| Boiling Point: | 242.8 °C at 760 mmHg |
| Flash Point: | 114.9 °C |
| Solubility: | Soluble in water. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36 |
| Safety: | 26-37/39 |
| PSA: | 57.53000 |
| LogP: | 0.08950 |
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| Conditions | Yield |
|---|---|
| Stage #1: 2,2-dimethyl-3-hydroxypropionaldehyde With sodium hydroxide at 85 - 95℃; for 2h; Stage #2: With ammonium hydroxide; H1044 at 60℃; for 8h; pH=7 - 9; | 91% |
| With phosphotungstic acid; dihydrogen peroxide In water at 55℃; for 2h; Temperature; Reagent/catalyst; Time; | 85% |
| With sodium hydroxide; oxygen; palladium/alumina at 39.85℃; under 760 Torr; Kinetics; Further Variations:; Temperatures; | |
| Multi-step reaction with 2 steps 1: water; aluminium amalgam 2: potassium permanganate View Scheme |
- 1384980-61-3
N-[3-acetoxy-2,2-dimethylpropanoyl]-S-methyl-S-2-pyridylsulfoximine
A
- 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid
B
- 76456-06-9
imino(methyl)(pyridin-2-yl)-λ6-sulfanone
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 50℃; for 3h; | A 88% B 87% |
- 14002-80-3
Methyl 2,2-dimethyl-3-hydroxypropionate
- 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid
| Conditions | Yield |
|---|---|
| With water; lithium hydroxide In tetrahydrofuran; methanol at 0 - 20℃; for 1.5h; | 73% |
| With lithium hydroxide In tetrahydrofuran; methanol; water at 20℃; for 1.3h; | |
| With lithium hydroxide In tetrahydrofuran; methanol; water at 0 - 20℃; |
- 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water for 12h; Inert atmosphere; Schlenk technique; Reflux; | 56% |
| Conditions | Yield |
|---|---|
| Stage #1: formaldehyd; L-valine With ketopantoate hydroxymethyltransferase; nickel dichloride at 20℃; for 24h; pH=7.5; Enzymatic reaction; Stage #2: With dihydrogen peroxide pH=7.5; Stage #3: With catalase from bovine liver In aq. phosphate buffer pH=7; Enzymatic reaction; | 51% |
- 201230-82-2
carbon monoxide
- 513-42-8
3-hydroxy-2-methyl-1-propene
A
- 64190-48-3, 65284-00-6, 70470-05-2, 1679-49-8
dihydro-4-methyl-2(3H)-furanone
B
- 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid
| Conditions | Yield |
|---|---|
| Stage #1: carbon monoxide; 3-hydroxy-2-methyl-1-propene With dicarbonylacetylacetonato rhodium (I); 2-isopropoxy-1-methyl-3-phenyl-2,3-dihydro-1H-benzo[d][1,3]azaphosphole; hydrogen; toluene-4-sulfonic acid In benzene at 45℃; under 20686.5 Torr; for 12h; Stage #2: With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene In water; tert-butyl alcohol at 20℃; regioselective reaction; | A n/a B 49% |
- 597-31-9
2,2-dimethyl-3-hydroxypropionaldehyde
A
- 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid
B
- 126-30-7
2,2-Dimethyl-1,3-propanediol
| Conditions | Yield |
|---|---|
| With potassium carbonate | |
| With potassium carbonate |
- 19295-57-9
3-hydroxy-2,2-dimethylpropionitrile
- 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 41296-71-3
3-acetoxy-2,2-dimethyl-propionitrile
- 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid
| Conditions | Yield |
|---|---|
| Verseifung; |
- 854648-82-1
2,2-dimethyl-3-pivaloyloxy-propionic acid
- 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid
| Conditions | Yield |
|---|---|
| Hydrolysis; |
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Chemistry
Molecular structure of Propanoic acid,3-hydroxy-2,2-dimethyl- (CAS NO.4835-90-9) is:
Product Name: Propanoic acid,3-hydroxy-2,2-dimethyl-
CAS Registry Number: 4835-90-9
IUPAC Name: 3-hydroxy-2,2-Dimethylpropanoic acid
Molecular Weight: 118.1311 [g/mol]
Molecular Formula: C5H10O3
XLogP3-AA: 0
H-Bond Donor: 2
H-Bond Acceptor: 3
EINECS: 203-874-3
Melting Point: -16 °C(lit.)
Refractive index: n20/D 1.5215(lit.)
Surface Tension: 43.1 dyne/cm
Density: 1.144 g/cm3
Flash Point: 114.9 °C
Enthalpy of Vaporization: 55.75 kJ/mol
Boiling Point: 242.8 °C at 760 mmHg
Vapour Pressure: 0.00567 mmHg at 25°C
Safety Profile
Safty information about Propanoic acid,3-hydroxy-2,2-dimethyl- (CAS NO.4835-90-9) is:
Hazard Codes: 
Xi
Risk Statements: 36
R36:Irritating to eyes.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 1
RTECS: KM2975000
F: 3-13-23
Specification
Propanoic acid,3-hydroxy-2,2-dimethyl- , its cas register number is 4835-90-9. It also can be called 3-Hydroxypivalic acid ; 2,2-Dimethyl-3-hydroxypropionic acid .