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Cas Database

Name	3-Hydroxypivalic acid	EINECS	225-419-8
CAS No.	4835-90-9	Density	1.144 g/cm³
PSA	57.53000	LogP	0.08950
Solubility	Soluble in water.	Melting Point	-16 °C(lit.)
Formula	C₅H₁₀O₃	Boiling Point	242.8 °C at 760 mmHg
Molecular Weight	118.133	Flash Point	114.9 °C
Transport Information	N/A	Appearance	N/A
Safety	26-37/39	Risk Codes	36
Molecular Structure		Hazard Symbols	Xi
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;	Article Data	35

3-Hydroxypivalic acid Synthetic route

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

: 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid

Conditions

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

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

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℃;

: 2,2-dimethyl-3-oxo-3-(pyrrolidin-1-yl)propyl acetate

: 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid

Conditions

Conditions	Yield
With hydrogenchloride; water for 12h; Inert atmosphere; Schlenk technique; Reflux;	56%

: 50-00-0
formaldehyd

: 72-18-4
L-valine

: 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid

Conditions

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

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

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

Conditions	Yield
With hydrogenchloride

: 41296-71-3
3-acetoxy-2,2-dimethyl-propionitrile

: 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid

Conditions

Conditions	Yield
Verseifung;

: 854648-82-1
2,2-dimethyl-3-pivaloyloxy-propionic acid

: 4835-90-9
3-Hydroxy-2,2-dimethylpropanoic acid

Conditions

Conditions	Yield
Hydrolysis;

3-Hydroxypivalic acid Chemical Properties

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

3-Hydroxypivalic acid Safety Profile

Safty information about Propanoic acid,3-hydroxy-2,2-dimethyl- (CAS NO.4835-90-9) is:
Hazard Codes: Irritant 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

3-Hydroxypivalic acid 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 .

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