Sch 40458

Base Information

• Chemical Name: Sch 40458
• CAS No.: 76639-93-5
• Molecular Formula: C10H14FNO3S
• Molecular Weight: 375.2438
• Mol file: 76639-93-5.mol

Synonyms:Florfenicol amine;

Chemical Property of Sch 40458

Chemical Property:

• Vapor Pressure: 5.17E-18mmHg at 25°C
• Boiling Point: 654.3°C at 760 mmHg
• PKA: 10.90±0.45(Predicted)
• Flash Point: 349.5°C
• PSA: 88.77000
• Density: 1.313±0.06 g/cm3(Predicted)
• LogP: 2.20140

Purity/Quality:

98%Min ^*data from raw suppliers

Florfenicol Amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Florfenicol amine is the 4-methylsulphonophenylpropylamine parent compound formed by hydrolysing the dichloroacetamide of florfenicol. Florfenicol amine is a metabolite and degradation product of flofenicol. Florfenicol amine has no antibiotic activity but is an important standard for monitoring animal and environmental residues of florfenicol. Florfenicol Amine is a metabolite of Florfenicol; Florfenicol is an antibacterial agent. It is also used in the treatment of respiratory diseases in cattles.

Technology Process of Sch 40458

There total 71 articles about Sch 40458 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

D-(-)-threo-2-phenyl-4-(fluoromethyl)-5-(4-(methylsulfonyl)phenyl)-2-oxazoline (126428-97-5) → (1R,2S)-2-amino-3-fluoro-1-<4-(methylsulphonyl)phenyl>-1-propanol (76639-93-5,105182-37-4,118015-48-8)

Guidance literature:

With hydrogenchloride; at 100 - 105 ℃; for 12h;

DOI:10.1021/jo00305a027

Reference yield:

Florfenicol (73231-34-2) → methanesulfonic acid (75-75-2,98527-29-8) + para-methanesulfonylbenzaldehyde (5398-77-6) + C4H4Cl2FNO2 + C12H13Cl3FNO4S + C11H11Cl3FNO2 + C11H12Cl2FNO2 + (1R,2S)-2-amino-3-fluoro-1-<4-(methylsulphonyl)phenyl>-1-propanol (76639-93-5,105182-37-4,118015-48-8) + benzaldehyde (100-52-7) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With water; hypochloric acid; at 15 ℃; for 0.5h; pH=5.7; Reagent/catalyst; Kinetics;

DOI:10.1039/c6ra23342b

Reference yield:

(1R,2S)-2-(benzhydrylamino)-3-fluoro-1-(4-(methylsulfonyl)phenyl)propan-1-ol (1308663-62-8) → (1R,2S)-2-amino-3-fluoro-1-<4-(methylsulphonyl)phenyl>-1-propanol (76639-93-5,105182-37-4,118015-48-8)

Guidance literature:

(1R,2S)-2-(benzhydrylamino)-3-fluoro-1-(4-(methylsulfonyl)phenyl)propan-1-ol; With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In methanol; water; at 20 ℃; for 6h; under 760.051 Torr;

With sodium hydrogencarbonate; In water;

DOI:10.1016/j.tet.2011.09.052

upstream raw materials:

D-(-)-threo-2-phenyl-4-(fluoromethyl)-5-(4-(methylsulfonyl)phenyl)-2-oxazoline

(R*,R*)-(+)-thiomicamine

(1R,2R)-2-amino-1-<4-(methylsulphonyl)phenyl>-1,3-propanediol

D-threo-4,5-dihydro-5-(4-methylsulphonylphenyl)-2-phenyl-4-oxazolemethanol

Downstream raw materials:

C₁₀H₁₂FN₃O₃S

C₁₄H₂₀FNO₄S

C₁₇H₁₈FNO₆S

Florfenicol

Refernces

• 1、 -. "FLORFENICOL SYNTHESIZING METHOD". Paragraph 0120; 0121. . Retrieved 2016/11/17.
• 2、 -. "A substituted 1,2-aminoalcohols method for preparation of drug". Paragraph 0094; 0095. . Retrieved 2016/10/07.