76639-93-5

Basic information

• Product Name: Sch 40458
• Synonyms: Sch 40458;florfenicol amine;(αR)-α-[(1S)-1-Amino-2-fluoroethyl]-4-(methylsulfonyl)benzenemethanol;D-(?)-threo-2-Amino-3-fluoro-1-[4-(methylsulfonyl)phenyl]-1-propanol
• CAS NO: 76639-93-5
• Molecular Formula: C10H14FNO3S
• Molecular Weight: 247.2864632
• Mol File: 76639-93-5.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 654.3°C at 760 mmHg
• Flash Point: 349.5°C
• Appearance: /
• Density: 1.313±0.06 g/cm3(Predicted)
• Vapor Pressure: 5.17E-18mmHg at 25°C
• PKA: 10.90±0.45(Predicted)
• CAS DataBase Reference: Sch 40458(CAS DataBase Reference)
• NIST Chemistry Reference: Sch 40458(76639-93-5)
• EPA Substance Registry System: Sch 40458(76639-93-5)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 76639-93-5(Hazardous Substances Data)

Usage

Description

Sch 40458 is a compound with various applications across different industries. It is known for its unique properties that make it suitable for a range of uses.

Uses

Used in Pharmaceutical Industry:
Sch 40458 is used as a metabolite and degradation product for [application reason] Florfenicol, an antibacterial agent. It plays a crucial role in monitoring animal and environmental residues of florfenicol, ensuring the safety and effectiveness of the drug.
Used in Veterinary Medicine:
Sch 40458 is used as a treatment option for [application reason] respiratory diseases in cattle. As a metabolite of Florfenicol, it contributes to the management and prevention of such health issues in livestock.

InChI:InChI=1/C12H14Cl2FNO4S.H3N/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14;/h2-5,9-11,17H,6H2,1H3,(H,16,18);1H3/t9-,10-;/m1./s1

Upstream product

• 73231-34-2 Florfenicol 
• 1373543-42-0 ethyl (2R,3S)-3-hydroxy-2-[(4-methoxybenzoyl)amino]-3-[4-(methylsulfonyl)phenyl]propanoate 
• 1373543-43-1 ethyl (4S,5R)-2-(4-methoxyphenyl)-5-[4-(methylsulfonyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylate 
• 1373543-44-2 ethyl (4R,5R)-2-(4-methoxyphenyl)-5-[4-(methylsulfonyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylate 
• 1373543-45-3 {(4R,5R)-2-(4-methoxyphenyl)-5-[4-(methylsulfonyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl}methanol 
• 126429-04-7 (4S,5R)-4-(fluoromethyl)-2-(4-methoxyphenyl)-5-[4-(methylsulfonyl)phenyl]-4,5-dihydro-1,3-oxazole 
• 1373543-46-4 C₁₈H₂₀FNO₅S*ClH 
• 1322626-20-9 (1S,2S)-3-fluoro-1-[4-(methylsulfonyl)phenyl]-2-[(benzoyl)amino]-1-propanol 

Downstream Products

• 138872-74-9 C₁₄H₂₀FNO₄S 
• 1431545-23-1 C₁₇H₁₈FNO₆S 
• 73231-34-2 Florfenicol 
• 864527-07-1 C₁₀H₁₂FN₃O₃S 

Relevant articles and documents

Method for synthesis of florfenicol

The invention discloses a method for synthesis of florfenicol and belongs to the technical field of medicine synthesis. 1-R1-2-(R)-4- methylsulfino phenyl formyl aziridine is dissolved in solvent to react with sterically hindered reductant to form chiral alkamine compound 1 with a single configuration; compound 1 is heated and reacts with triethylamine hydrofluoride in the solvent to form (1R, 2S)-3-fluoride-1-4-(methylsulfino phenyl)-2-(R1-amido)-1-propyl alcohol; (1R, 2S)-3-fluoride-1-4-(methylsulfino phenyl)-2-(R1-amido)-1-propyl alcohol has the blocking group taken away in the solvent to form (1R 2S)-2-amido-3-fluoride-1-4-methylsulfino phenyl-1-propyl alcohol; florfenicol can then be obtained through dichloro-acetylation reaction of (1R, 2S)-2-amido-3-fluoride-1-4-methylsulfino phenyl-1-propyl alcohol.

A substituted 1,2-aminoalcohols method for preparation of drug

The invention discloses a preparation method of a substituted 1, 2-alkamine medicine. The preparation method comprises the following steps: dissolving a compound A into a solvent, then adding alkali, stirring, dripping a carbonylation agent, and after dripping, stirring, so as to obtain a compound B; dissolving the compound B into the solvent, adding a reducing agent, controlling the temperature of a reaction liquid to range from 10 DEG C below zero to 50 DEG C, and stirring, so as to obtain a compound C; adding the compound C into the solvent, using Ishikawa agent for fluoridation, after fluoridation, obtaining a compound D, removing the solvent, directly adding into acid for hydrolysis so as to obtain a compound E; resolving the compound E, ester and alkali into the solvent for reaction for 2 to 24 hours under a temperature of 0 to 50 DEG C, so as to obtain a compound F; the process route has the characteristics of short production period, low cost and high yield, the operation is simple and convenient, the product yield is increased while unit operation is shortened, and the preparation method is suitable for industrial production.

Chlorination of florfenicol (FF): reaction kinetics, influencing factors and by-products formation

Florfenicol (FF) is a widely used antibiotic, which is commonly found in natural waters. In this study, we investigated the removal fate of FF in two different drinking water treatment plants (DWTPs), which suggest that FF was easily transformed by free available chlorine (FAC) and the potential reactions of FF with FAC was the focus of this study. The oxidation kinetics of FF by FAC (7 × 10?4 mol) are very rapid with large pseudo-first-order rate constants kobs = 0.31 min?1, while FF (5 mg L?1) can be completely transformed in 30 min. The results showed that high Cl? (the dominant seawater constituent), Br?, and lower humic acid (HA, main constituents in freshwater) favor the FF oxidation. 21 degradation products were identified by liquid chromatography-tandems mass spectrometry (LC-MS/MS) and the possible routes for FF chlorination were proposed. These results are of importance toward the goal of assessing the persistence of FF in water chlorination.