ChemicalBook--->CAS DataBase List--->98244-48-5

98244-48-5

98244-48-5 Structure

98244-48-5 Structure
IdentificationBack Directory
[Name]

(S)-(+)-3-BROMO-2-METHYL-1-PROPANOL
[CAS]

98244-48-5
[Synonyms]

3-Bromo-2-Methyl-1-Propanol
(S)-3-BROMO-2-METHYL-PROPANOL
(S)-3-broMo-2-Methylpropan-1-ol
(2S)-3-Bromo-2-methyl-1-propanol
3-Bromo-2-methyl-1-propanolS-form
(2S)-3-Bromo-2-methyl-propan-1-ol
(S)-(+)-3-BROMO-2-METHYL-1-PROPANOL
1-Propanol, 3-bromo-2-methyl-, (2S)-
(S)-(+)-3-BroMo-2-Methyl-1-propanol 97%
[Molecular Formula]

C4H9BrO
[MDL Number]

MFCD00064575
[MOL File]

98244-48-5.mol
[Molecular Weight]

153.02
Chemical PropertiesBack Directory
[Boiling point ]

177.5±0.0 °C(Predicted)
[density ]

1.461 g/mL at 25 °C (lit.)
[refractive index ]

n20/D 1.483(lit.)
[Fp ]

198 °F
[storage temp. ]

2-8°C
[form ]

liquid
[pka]

14?+-.0.10(Predicted)
[Appearance]

Colorless to light yellow Liquid
[Optical Rotation]

[α]25/D +7.3°, c = 2 in chloroform
[BRN ]

4738280
[InChI]

InChI=1S/C4H9BrO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3/t4-/m1/s1
[InChIKey]

KIBOHRIGZMLNNS-SCSAIBSYSA-N
[SMILES]

C(O)[C@H](C)CBr
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[F ]

9
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

(S)-(+)-3-Bromo-2-methyl-1-propanol is a precursor to synthesize the phase II mexiletine metabolite, (R)-mexiletine N-carbonyloxy-β-D-glucuronide. It can be used in the synthesis of (R)-(+)-muscopyridine, polycavernoside A and (+)-allopumiliotoxin 323B′. It can also be employed in building homochiral porous molecular networks.
[Uses]

(2S)-3-Bromo-2-methyl-1-propanol is used as a reagent in the preparation of of pyrazolopyrimidinamine derivatives and their tyrosine and phosphinositide kinase inhibitory activity.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-(+)-3-BROMO-2-METHYL-1-PROPANOL(98244-48-5)1HNMR
(S)-(+)-3-BROMO-2-METHYL-1-PROPANOL(98244-48-5)IR
(S)-(+)-3-BROMO-2-METHYL-1-PROPANOL(98244-48-5)Raman
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