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China Suppliers of Benzyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate from Factory Direct

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

🧪 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
≥ 98% (HPLC)
Appearance
White to off-white crystalline powder
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

This compound is slightly irritating to the skin, respiratory tract and eyes. Protective gloves, goggles and masks should be worn during operation to avoid direct contact and inhalation; if contact occurs accidentally, rinse the affected area with plenty of water immediately.

  • Seal in a light-proof container and store in a cool (2–8℃), dry and well-ventilated place.
  • Keep away from strong oxidants, strong acids and alkalis.
  • Avoid high temperatures and humid environments to prevent oxidation, degradation or racemization.
  • Avoid benzyl ester group hydrolysis to ensure 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 ✔ High Purity
Water Content % ≤ 0.5
Storage Sealed in a light-proof container and stored in a cool (2–8℃), dry and well-ventilated place.
Frequently Asked Questions
Q What is the CAS number of Benzyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate?
The CAS registry number of this compound is 1194550-59-8. It has a molecular formula of C₁₇H₁₉NO₄S and a molecular weight of 369.86.
Q What is this compound used for in pharmaceutical synthesis?
This compound serves as a key chiral organic intermediate, primarily used in the synthesis of Lifitegrast, a drug used for the treatment of dry eye disease. Its benzyl ester and amino groups allow for selective protection/deprotection and participation in condensation and amidation reactions.
Q What is the purity specification of this product?
The main peak purity is ≥98.0% as determined by HPLC. Total related substance impurities are controlled at ≤2.0%, and other individual impurities at ≤0.1%, ensuring high-quality pharmaceutical-grade standards.
Q What solvents is this compound soluble in?
It is readily 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 are the recommended storage conditions?
The product should be sealed in a light-proof container and stored at 2–8℃ in a cool, dry, and well-ventilated environment. It should be kept away from strong oxidants, strong acids, and alkalis to prevent oxidation, degradation, racemization, or benzyl ester hydrolysis.
Q What safety precautions should be taken when handling this compound?
This compound is slightly irritating to the skin, respiratory tract, and eyes. Operators should wear protective gloves, goggles, and a mask at all times. In case of accidental contact, the affected area should be rinsed thoroughly with plenty of water immediately. Proper laboratory ventilation is also recommended.

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