Benzyl 3-(methylsulfonyl)-L-phenylalaninate hydrochloride (1:1) | CAS No. 1194550-59-8

Benzyl 3-(methylsulfonyl)-L-phenylalaninate hydrochloride (1:1)

Basic Information

CAS Number

1194550-59-8

Molecular Formula

C17H20ClNO4S

Molecular Weight

369.87 g/mol

AD

Basic Physical Properties

CS(=O)(=O)c1cccc(c1)C[C@@H](C(=O)OCc2ccccc2)N.Cl

InChI

InChI=1S/C17H19NO4S.ClH/c1-23(20,21)15-9-5-8-14(10-15)11-16(18)17(19)22-12-13-6-3-2-4-7-13;/h2-10,16H,11-12,18H2,1H3;1H/t16-;/m0./s1

InChIKey

QMFDSGLDMSBMLX-NTISSMGPSA-N

LogP

2.1251

Topological Polar Surface Area

86.46 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

479

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 3-(Methylsulfonyl)-L-phenylalanine phenylmethyl ester hydrochloride
  • (S)-Benzyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride
  • Benzyl 3-(methylsulfonyl)-L-phenylalaninate
  • benzyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate
  • Benzyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride
  • Benzyl (S)-2-Amino-3-[3-(methylsulfonyl)phenyl]propanoate Hydrochloride
  • BCP16302
  • SB18112
  • benzyl (2S)-2-amino-3-(3-methanesulfonylphenyl)propanoate hydrochloride

MDL Number

MFCD29919305

FAQ

What is Benzyl 3-(methylsulfonyl)-L-phenylalaninate hydrochloride (CAS: 1194550-59-8)?

Benzyl 3-(methylsulfonyl)-L-phenylalaninate hydrochloride (CAS: 1194550-59-8) is a compound used in pharmaceutical and chemical research. It is an ester derivative of L-phenylalanine with a methylsulfonyl group and a benzyl group, and it exists as a hydrochloride salt. It is used as a chiral auxiliary, intermediate, and reagent in chemical synthesis.

What are the main uses of Benzyl 3-(methylsulfonyl)-L-phenylalaninate hydrochloride (CAS: 1194550-59-8)?

Benzyl 3-(methylsulfonyl)-L-phenylalaninate hydrochloride (CAS: 1194550-59-8) is primarily used as a chiral auxiliary in asymmetric synthesis and as an intermediate for the preparation of other chiral compounds. It is also employed in the synthesis of enantiomerically pure drugs and in the study of chiral catalysis.

Is Benzyl 3-(methylsulfonyl)-L-phenylalaninate hydrochloride (CAS: 1194550-59-8) safe?

Benzyl 3-(methylsulfonyl)-L-phenylalaninate hydrochloride (CAS: 1194550-59-8) is generally considered safe for laboratory use when handled appropriately. However, it should be handled with caution as it may irritate the skin and eyes. Protective gloves and eye protection are recommended. In case of contact, flush with water and seek medical advice immediately.

How should Benzyl 3-(methylsulfonyl)-L-phenylalaninate hydrochloride (CAS: 1194550-59-8) be stored?

Benzyl 3-(methylsulfonyl)-L-phenylalaninate hydrochloride (CAS: 1194550-59-8) should be stored in a cool, dry place away from direct sunlight and heat. It should be kept in a tightly sealed container to prevent moisture absorption. Store at room temperature (15-25°C) and protect from humidity. Avoid contact with incompatibles such as strong acids and bases.

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