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16854-32-3

16854-32-3 Structure

16854-32-3 Structure
IdentificationMore
[Name]

(1S,2S)-(+)-2-AMINO-1-[4-(METHYLTHIO)PHENYL]-1,3-PROPANEDIOL
[CAS]

16854-32-3
[Synonyms]

(1S,2S)-(+)-2-AMINO-1-[4-(METHYLTHIO)PHENYL]-1,3-PROPANEDIOL
(1S,2S)-(+)-THIOMICAMINE
L-THIOMICAMINE
2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol
[S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol
thiomicamine
(1S,2S)-1-[4-(Methylthio)phenyl]-2-amino-1,3-propanediol
(1S,2S)-1-[4-(Methylthio)phenyl]-2-aminopropane-1,3-diol
[EINECS(EC#)]

240-878-4
[Molecular Formula]

C10H15NO2S
[MDL Number]

MFCD00134212
[Molecular Weight]

213.3
[MOL File]

16854-32-3.mol
Chemical PropertiesBack Directory
[Melting point ]

151-154 °C(lit.)
[Boiling point ]

428.2±45.0 °C(Predicted)
[density ]

1.25±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C, stored under nitrogen
[pka]

11.75±0.45(Predicted)
[Appearance]

White to off-white Powder
[Optical Rotation]

[α]25/D +25°, c = 1 in ethanol
[InChI]

1S/C10H15NO2S/c1-14-8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3/t9-,10-/m0/s1
[InChIKey]

IULJJGJXIGQINK-UWVGGRQHSA-N
[SMILES]

CSc1ccc(cc1)[C@H](O)[C@@H](N)CO
[CAS DataBase Reference]

16854-32-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[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 ]

3
[HS Code ]

2930909899
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

(1S,2S)-(+)-Thiomicamine can be used:
  • As a starting material in the synthesis of 3,4-dihydroisoquinolinium salts, which are employed as promoters in asymmetric epoxidation and oxidation?reactions.
  • As a starting material in the synthesis of an α-amino acid named (3R,4R)-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, which is used to prepare modified peptides of biological importance.
  • As a chiral base in the resolution of an angiotensin II type 2 receptor [AT2R] antagonist named EMA401.

Spectrum DetailBack Directory
[Spectrum Detail]

(1S,2S)-(+)-2-AMINO-1-[4-(METHYLTHIO)PHENYL]-1,3-PROPANEDIOL(16854-32-3)1HNMR
(1S,2S)-(+)-2-AMINO-1-[4-(METHYLTHIO)PHENYL]-1,3-PROPANEDIOL(16854-32-3)IR
(1S,2S)-(+)-2-AMINO-1-[4-(METHYLTHIO)PHENYL]-1,3-PROPANEDIOL(16854-32-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

16854-32-3(sigmaaldrich)
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