139164-32-2

Basic information

• Product Name: (βS)-N-Benzoyl-β-hydroxy-4-(methylsulfonyl)-D-phenylalanine Ethyl Ester
• Synonyms: (βS)-N-Benzoyl-β-hydroxy-4-(methylsulfonyl)-D-phenylalanine Ethyl Ester;threo-N-Benzoyl-β-hydroxy-4-(Methylsulfonyl)-D-phenylalanine Ethyl Ester
• CAS NO: 139164-32-2
• Molecular Formula: C₁₉H₂₁NO₆S
• Molecular Weight: 391.43814
• Product Categories: Amino Acids & Derivatives;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds
• Mol File: 139164-32-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 683.687°C at 760 mmHg
• Flash Point: 367.281°C
• Appearance: /
• Density: 1.303g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.579
• Solubility: Chloroform, Dichloromethane, DMSO, Methanol
• PKA: 12.43±0.20(Predicted)
• CAS DataBase Reference: (βS)-N-Benzoyl-β-hydroxy-4-(methylsulfonyl)-D-phenylalanine Ethyl Ester(CAS DataBase Reference)
• NIST Chemistry Reference: (βS)-N-Benzoyl-β-hydroxy-4-(methylsulfonyl)-D-phenylalanine Ethyl Ester(139164-32-2)
• EPA Substance Registry System: (βS)-N-Benzoyl-β-hydroxy-4-(methylsulfonyl)-D-phenylalanine Ethyl Ester(139164-32-2)

Safety Data

• Hazardous Substances Data: 139164-32-2(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

InChI:InChI=1/C19H21NO6S/c1-3-26-19(23)16(20-18(22)14-7-5-4-6-8-14)17(21)13-9-11-15(12-10-13)27(2,24)25/h4-12,16-17,21H,3H2,1-2H3,(H,20,22)/t16-,17+/m1/s1

Upstream product

• 55-21-0 benzamide 
• 139235-94-2 ethyl (2R,3S)-3-(4-methylthiophenyl)serinate hydrochloride 
• 17087-39-7 DL-threo-3-(4-methylthiophenyl)serine 
• 98-88-4 benzoyl chloride 
• 139058-99-4 ethyl L-threo-N-benzoyl-3-(4-methylthiophenyl)serinate 

Downstream Products

• 139059-01-1 (4S,5R)-5-(4-(methylsulfonyl)phenyl)-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid ethyl ester 
• 96795-00-5 D-threo-4,5-dihydro-5-(4-methylsulphonylphenyl)-2-phenyl-4-oxazolemethanol 
• 139059-00-0 (4R,5R)-5-(4-(methylsulfonyl)phenyl)-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid ethyl ester 

Relevant articles and documents

Preparation method of (2S, 3R)-p-methylsulfonylphenyl serine ethyl ester

The invention provides a preparation method of (2S, 3R)-p-methylsulfonylphenyl serine ethyl ester. The preparation method comprises the following steps: dissolving p-methylsulfonyl benzaldehyde and 2-halogenated ethyl acetate serving as raw materials in a solvent A to prepare (2R, 3R)-2-halogen-3-hydroxy-3-(4-methylsulfonyl) phenyl ethyl propionate under the action of a catalyst A, substituting halogen atoms with azide, and performing catalytic hydrogenation reduction to prepare (2S, 3R)-p-methylsulfonyl phenyl serine ethyl ester; or using p-methylsulfonyl benzaldehyde and 2-halogenated ethylacetate as raw materials and dissolving in a solvent B, and preparing (2S, 3S)-2-halogen-3-hydroxy-3-(4-methylsulfonyl) phenyl ethyl propionate under the action of a catalyst B, substituting halogen atoms with benzamide, and preparing (2S, 3R)-p-methylsulfonyl phenyl serine ethyl ester through cyclization, configuration transformation and hydrolysis. The preparation method is high in product purity and high in yield.