(S)-(+)-1-Phenyl-1,2-ethanediol 2-tosylate , 98% , 40435-14-1

CAS NO.：40435-14-1

Empirical Formula: C15H16O4S

Molecular Weight: 292.35

MDL number: MFCD00013428

PRODUCT Properties

• Melting point: 74-76 °C (lit.)
• alpha: 34 º (C=2 IN ETOH)
• Boiling point: 480.6±40.0 °C(Predicted)
• Density: 1.274±0.06 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• form: Solid
• pka: 12.95±0.20(Predicted)
• color: White
• optical activity: [α]20/D +34°, c = 2 in ethanol
• InChI: 1S/C15H16O4S/c1-12-7-9-14(10-8-12)20(17,18)19-11-15(16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-/m1/s1
• InChIKey: IOTJIFRGXYQHAQ-OAHLLOKOSA-N
• SMILES: Cc1ccc(cc1)S(=O)(=O)OC[C@@H](O)c2ccccc2

Description and Uses

(S)-(+)-1-Phenylethane-1,2-diol 2-tosylate is an intermediate in the synthesis of (S)-Mirabegron (M364895), which is an impurity of Mirabegron (M364900). Mirabegron is a potent bladder relaxant and reagent for diabetes remedy.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P305+P351+P338
• PPE: Eyeshields, Gloves, type N95 (US)
• Safety Statements: 24/25
• WGK Germany: 3
• HS Code: 29062990
• Storage Class: 11 - Combustible Solids