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benzyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate

Benzyl (S)-2-Amino-3-(3-(Methylsulfonyl)phenyl)propanoate - China Suppliers & Factory Direct Deals

Basic Information

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  • CAS Number 1194550-59-8
  • Molecular Formula :C17H20ClNO4
  • Molucular Weight 369.86
  • Package: 500g/bag, 1kg/bag, 5kg/bag, 10kg/bag, 25kg/drum, or as per customer requirements
  • Storage seale in a light-proof container and store in a cool (2–8℃), dry and well-ventilated place.
  • Retest Period Two Years
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Product Details

Product Description

Benzyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate is an important chiral amino acid benzyl ester derivative, containing a methylsulfonyl functional group and a benzyl ester protecting structure. As a key organic intermediate for drug synthesis, it can be used in the synthesis of Lifitegrast, with a CAS registry number of 1194550-59-8, a molecular formula of C₁₇H₁₉NO₄S, and a molecular weight of 369.86. It is typically a white to off-white crystalline powder with good stability, suitable for drug synthesis scenarios.

CAS Number 1194550-59-8
Molecular Formula C₁₇H₁₉NO₄S
Molecular Weight 369.86
Purity (HPLC) ≥ 98%
Appearance White / Off-white Powder
Melting Point 128 – 132 ℃
Benzyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate structure
Physicochemical Properties

Its key physicochemical properties are as follows: it is soluble in polar organic solvents such as methanol, ethanol, dichloromethane and ethyl acetate, slightly soluble in water, and insoluble in non-polar solvents like petroleum ether and n-hexane. The melting point ranges from 128–132℃, the product purity is generally ≥98% (determined by HPLC), and the water content is ≤0.5%. The benzyl ester group in the molecule can realize selective protection and deprotection of the carboxyl group, facilitating subsequent functional group modification, while the amino group can participate in condensation, amidation and other reactions, adapting to subsequent drug synthesis processes.

Safety & Storage
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Personal Protection Wear protective gloves, goggles and masks during operation. Avoid direct contact and inhalation.
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Accidental Contact If contact occurs, rinse the affected area with plenty of water immediately.
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Storage Conditions Sealed, light-proof container. Store at 2–8℃ in a cool, dry and well-ventilated place.
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Incompatibilities Keep away from strong oxidants, strong acids and alkalis. Avoid high temperatures and humid environments.

Proper storage prevents oxidation, degradation or racemization, and avoids benzyl ester group hydrolysis, ensuring long-term storage stability and chiral purity.

Product Specification
Item Unit Specification
Appearance A white to off-white crystalline powder
Solubility Soluble in polar organic solvents such as methanol, ethanol, dichloromethane and ethyl acetate; slightly soluble in water; insoluble in non-polar solvents like petroleum ether and n-hexane.
Melting Point ℃ 128 – 132
Identification Infrared spectroscopy + HPLC retention time
Other Impurities % ≤ 0.1
Related Substances – Total Impurities % ≤ 2.0
Main Peak Purity % ≥ 98.0
Water Content % ≤ 0.5
Storage Sealed in a light-proof container; store in a cool (2–8℃), dry and well-ventilated place.
Frequently Asked Questions
Q What is the CAS number and molecular formula of Benzyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate?
The CAS registry number is 1194550-59-8. Its molecular formula is C₁₇H₁₉NO₄S with a molecular weight of 369.86.
Q What is this compound primarily used for in pharmaceutical synthesis?
It serves as a key chiral intermediate in drug synthesis, most notably in the synthesis of Lifitegrast. The benzyl ester group enables selective carboxyl protection/deprotection, while the amino group supports condensation and amidation reactions in downstream synthesis steps.
Q What solvents is this compound soluble in?
It is soluble in polar organic solvents including methanol, ethanol, dichloromethane, and ethyl acetate. It is slightly soluble in water and insoluble in non-polar solvents such as petroleum ether and n-hexane.
Q What purity level does this product meet, and how is it tested?
The main peak purity is ≥98.0% as determined by HPLC. Identification is confirmed by infrared spectroscopy combined with HPLC retention time. Total related substance impurities are controlled to ≤2.0%, with other individual impurities at ≤0.1%.
Q What are the recommended storage conditions to maintain product quality?
The compound should be stored sealed in a light-proof container at 2–8℃ in a cool, dry, and well-ventilated environment. It must be kept away from strong oxidants, strong acids, and alkalis, and protected from high temperatures and humidity to prevent oxidation, degradation, racemization, or benzyl ester hydrolysis.
Q What safety precautions should be followed when handling this compound?
This compound is slightly irritating to the skin, respiratory tract, and eyes. Operators should wear protective gloves, goggles, and masks at all times to avoid direct contact and inhalation. In the event of accidental contact, the affected area should be rinsed thoroughly with plenty of water immediately.

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