| Identification | Back Directory | [Name]
methyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride | [CAS]
851785-21-2 | [Synonyms]
Lifitegrast Intermediate 5
methyl (2S)-2-amino-3-(3-methylsulfonylphenyl)propanoate
3-(Methylsulfonyl)-L-phenylalanine methyl ester hydrochloride
METHYL (S)-2-AMINO-3-(3-(METHYLSULFONYL)PHENYL)PROPANOATE HCL
methyl (2S)-2-amino-3-(3-methanesulfonylphenyl)propanoate hydrochloride
(S)-Methyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride
methyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride | [Molecular Formula]
C11H16ClNO4S | [MDL Number]
MFCD29037384 | [MOL File]
851785-21-2.mol | [Molecular Weight]
293.767 |
| Chemical Properties | Back Directory | [storage temp. ]
Sealed in dry,Room Temperature | [Appearance]
White to off-white Solid | [InChI]
InChI=1/C11H15NO4S.ClH/c1-16-11(13)10(12)7-8-4-3-5-9(6-8)17(2,14)15;/h3-6,10H,7,12H2,1-2H3;1H/t10-;/s3 | [InChIKey]
VUUYKOLKOIYVCR-MEQOOBBNNA-N | [SMILES]
C(C1C=CC=C(S(=O)(=O)C)C=1)[C@H](N)C(=O)OC.Cl |&1:11,r| |
| Hazard Information | Back Directory | [Synthesis]
Hydrogenation of the compound (CAS: 851785-26-7) as starting material was carried out in methanol (MeOH) by hydrogen ballooning with palladium carbon (Pd/C) as catalyst to give compound 8.4 in 98% yield. The product was confirmed by electrospray ionization mass spectrometry (ESI-MS) with a mass-to-charge ratio (m/z) of 258 ([M+H]+). | [References]
[1] Patent: WO2005/44817, 2005, A1. Location in patent: Page/Page column 92-93 |
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