ChemicalBook--->CAS DataBase List--->127641-25-2

127641-25-2

127641-25-2 Structure

127641-25-2 Structure
IdentificationBack Directory
[Name]

(1S,2R)-N-TOSYLEPHEDRINE
[CAS]

127641-25-2
[Synonyms]

Efavirenz Impurity 29
(1S,2R)-N-TOSYLEPHEDRINE
(1R,2S)-N,N-TETRAMETHYLENENOREPHEDRINE
(R-(R*,S*))-BETA-METHYL-ALPHA-PHENYL-1-P
(1R,2S)-2-Pyrrolidino-1-phenyl-1-propanol
(1R,2S)-1-Phenyl-2-pyrrolidin-1-yl-propan-1-ol
(1R,2S)-1-PHENYL-2-(1-PYRROLIDINYL)-1-PROPANOL
(1R,2S)-1-PHENYL-2-(1-PYRROLIDINYL)PROPAN-1-OL
(1R,2S)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol>
1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αR,βS)-
1-Pyrrolidineethanol, b-Methyl-a-phenyl-, (aR,bS)-
(1R,2S)-1-PHENYL-2-(1-PYRROLIDINYL)-1-PROPANOL 98%
[EINECS(EC#)]

626-375-6
[Molecular Formula]

C13H19NO
[MDL Number]

MFCD08275370
[MOL File]

127641-25-2.mol
[Molecular Weight]

205.3
Chemical PropertiesBack Directory
[Melting point ]

45-48 °C(lit.)
[Boiling point ]

321.3±22.0 °C(Predicted)
[density ]

1.075±0.06 g/cm3(Predicted)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

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

Solid
[pka]

13.89±0.20(Predicted)
[color ]

White to Light Yellow
[Optical Rotation]

[α]20/D +15°, c = 2 in chloroform
[InChI]

InChI=1/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/s3
[InChIKey]

FZVHJGJBJLFWEX-AAEUAGOBSA-N
[SMILES]

N1(CCCC1)[C@@H](C)[C@H](O)C1=CC=CC=C1 |&1:5,7,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

(1R,2S)-2-Pyrrolidino-1-phenyl-1-propanol, is a chiral building block used in asymmetric synthesis. It is also used as a novel heterodimer chiral amide base for enantioselective deprotonation of ketones.
Spectrum DetailBack Directory
[Spectrum Detail]

(1S,2R)-N-TOSYLEPHEDRINE(127641-25-2)1HNMR
(1S,2R)-N-TOSYLEPHEDRINE(127641-25-2)IR
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