2,2-Dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl)acetamide
[CAS# 90-91-5]

Identification

• Name: 2,2-Dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl)acetamide
• Synonyms: 2,2-Dichloro-N-[(1R,2R)-2-Hydroxy-1-(Hydroxymethyl)-2-(4-Methylsulfonylphenyl)Ethyl]Acetamide; 2,2-Dichloro-N-[(1R,2R)-2-Hydroxy-2-(4-Mesylphenyl)-1-Methylol-Ethyl]Acetamide; 2,2-Dichloro-N-[(1R,2R)-1,3-Dihydroxy-1-(4-Methylsulfonylphenyl)Propan-2-Yl]Ethana
• Molecular Formula: C₁₂H₁₅Cl₂NO₅S
• Molecular Weight: 356.22
• CAS Registry Number: 90-91-5
• SMILES: [C@@H](C1=CC=C(C=C1)[S](C)(=O)=O)([C@H](NC(C(Cl)Cl)=O)CO)O
• InChI: 1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1
• InChIKey: OTVAEFIXJLOWRX-NXEZZACHSA-N

Properties

• Density: 1.492g/cm³ (Cal.)
• Melting point: 166°C (Expl.)
• Boiling point: 695.875°C at 760 mmHg (Cal.)
• Flash point: 374.652°C (Cal.)

References

• (1): Goffredo Rosini, Claudia Ayoub, Valerio Borzatta, Emanuela Marotta, Andrea Mazzanti and Paolo Righi. The same and not the same. Similarities and differences in the resolution of trans-chrysanthemic acid of industrial origin by the enantiomers of some threo-1-aryl-2-dimethylamino-1,3-propanediols, Green Chem., 2007, 9, 441.