ChemicalBook--->CAS DataBase List--->4835-90-9

4835-90-9

4835-90-9 Structure

4835-90-9 Structure
IdentificationMore
[Name]

3-Hydroxypivalic acid
[CAS]

4835-90-9
[Synonyms]

2,2-DIMETHYL-3-HYDROXYPROPIONIC ACID
2,2'-THIO-BIS[ETHANOL]
2,2'-THIODIETHANOL
2,2-THIODIETHANOL
2-HYDROXYETHYL SULFIDE
3-HYDROXY-2,2-DIMETHYLPROPANOIC ACID
3-Hydroxypivalic acid
BETA-THIODIGLYCOL
BIS(2-HYDROXYETHYL) SULFIDE
HYDROXYPIVALIC ACID
OMEGA,OMEGA'-DIHYDROXYETHYL SULFIDE
THIODIETHYLENE GLYCOL
THIODIGLYCOL
THYODIGLYCOL
3-hydroxy-2,2-dimethyl-propanoicaci
Propanoic acid, 3-hydroxy-2,2-dimethyl-
2,2-DIMETHYL-3-HYDROXYPROPANOIC ACID
[EINECS(EC#)]

203-874-3
[Molecular Formula]

C5H10O3
[MDL Number]

MFCD00002910
[Molecular Weight]

118.13
[MOL File]

4835-90-9.mol
Chemical PropertiesBack Directory
[Melting point ]

−16 °C(lit.)
[Boiling point ]

164-166 °C20 mm Hg(lit.)
[density ]

1.221 g/mL at 25 °C(lit.)
[vapor pressure ]

0.446Pa at 25℃
[refractive index ]

n20/D 1.5215(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Sparingly, Heated), Methanol (Slightly)
[form ]

powder to crystal
[pka]

4.55±0.10(Predicted)
[color ]

White to Almost white
[Water Solubility ]

Soluble in water.
[BRN ]

1747025
[LogP]

-0.02
[CAS DataBase Reference]

4835-90-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Hydroxy pivalic acid(4835-90-9)
[EPA Substance Registry System]

4835-90-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H318
[Precautionary statements ]

P280i-P305+P351+P338-P310a
[Hazard Codes ]

Xi
[Risk Statements ]

R36:Irritating to the eyes.
[Safety Statements ]

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
[TSCA ]

Yes
[HS Code ]

2918.19.9000
[REACH Registrations]

Active
Hazard InformationBack Directory
[Chemical Properties]

white crystal
[Uses]

3-Hydroxy-2,2-dimethylpropionic acid is used as pharmaceutical intermediate.
[Reactions]

When 3-Hydroxypivalic acid (1r) was used under standard conditions, the free hydroxyl group was well tolerated and after conjugated addition, the lactonization took place smoothly to afford compound 3ra as a single diastereoisomer (according to 1H- and 13C-NMR)[1].
Tandem decarboxylation-Giese reaction-lactonization
3-Hydroxypivalic acid reactions
[Flammability and Explosibility]

Notclassified
[References]

[1] NIEVES P. RAMIREZ; Jose C G G. Decarboxylative Giese-Type Reaction of Carboxylic Acids Promoted by Visible Light: A Sustainable and Photoredox-Neutral Protocol[J]. European Journal of Organic Chemistry, 2017. DOI:10.1002/ejoc.201601478.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Hydroxypivalic acid(4835-90-9)MS
3-Hydroxypivalic acid(4835-90-9)1HNMR
3-Hydroxypivalic acid(4835-90-9)13CNMR
3-Hydroxypivalic acid(4835-90-9)IR1
3-Hydroxypivalic acid(4835-90-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Hydroxy-2,2-dimethylpropionic acid, 98%(4835-90-9)
[Sigma Aldrich]

4835-90-9(sigmaaldrich)
[TCI AMERICA]

Hydroxypivalic Acid,>98.0%(GC)(T)(4835-90-9)
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