126428-97-5

• 

• Basic information

  1. Product Name: (4S,5R)-4-(FluoroMethyl)-4,5-dihydro-5-[4-(Methylsulfonyl)phenyl]-2-phenyloxazole
  2. Synonyms: (4S,5R)-4-(FluoroMethyl)-4,5-dihydro-5-[4-(Methylsulfonyl)phenyl]-2-phenyloxazole;(4S-trans)-4-(FluoroMethyl)-4,5-dihydro-5-[4-(Methylsulfonyl)phenyl]-2-phenyloxazole
  3. CAS NO:126428-97-5
  4. Molecular Formula: C₁₇H₁₆FNO₃S
  5. Molecular Weight: 333
  6. EINECS: N/A
  7. Product Categories: Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds;Aromatics, Heterocycles, Pharmaceuticals, Intermediates & Fine Chemicals, Sulfur & Selenium Compounds
  8. Mol File: 126428-97-5.mol
  9. Article Data: 4

• Chemical Properties

  1. Melting Point: 117-119 °C
  2. Boiling Point: 533.293°C at 760 mmHg
  3. Flash Point: 276.326°C
  4. Appearance: /
  5. Density: 1.311g/cm³
  6. Vapor Pressure: 0mmHg at 25°C
  7. Refractive Index: 1.601
  8. Storage Temp.: N/A
  9. Solubility: N/A
  10. PKA: 2.58±0.70(Predicted)
  11. CAS DataBase Reference: (4S,5R)-4-(FluoroMethyl)-4,5-dihydro-5-[4-(Methylsulfonyl)phenyl]-2-phenyloxazole(CAS DataBase Reference)
  12. NIST Chemistry Reference: (4S,5R)-4-(FluoroMethyl)-4,5-dihydro-5-[4-(Methylsulfonyl)phenyl]-2-phenyloxazole(126428-97-5)
  13. EPA Substance Registry System: (4S,5R)-4-(FluoroMethyl)-4,5-dihydro-5-[4-(Methylsulfonyl)phenyl]-2-phenyloxazole(126428-97-5)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 126428-97-5(Hazardous Substances Data)

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• SDS
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• (4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyloxazole

  Cas No: 126428-97-5

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• (4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyloxazole

  Cas No: 126428-97-5

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126428-97-5 Usage

Uses

(4S,5R)-4-(FluoroMethyl)-4,5-dihydro-5-[4-(Methylsulfonyl)phenyl]-2-phenyloxazole is an intermediate used in the synthesis of Florfenicol (F405750) and its analogues.

Check Digit Verification of cas no

The CAS Registry Mumber 126428-97-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,6,4,2 and 8 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 126428-97:
(8*1)+(7*2)+(6*6)+(5*4)+(4*2)+(3*8)+(2*9)+(1*7)=135
135 % 10 = 5
So 126428-97-5 is a valid CAS Registry Number.

InChI:InChI=1/C17H16FNO3S/c1-23(20,21)14-9-7-12(8-10-14)16-15(11-18)19-17(22-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16-/m1/s1

126428-97-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name	(4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyloxazole

1.2 Other means of identification

Product number	-
Other names	(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:126428-97-5 SDS

126428-97-5Upstream product

• 100-47-0 benzonitrile 
• 1322626-20-9 (1S,2S)-3-fluoro-1-[4-(methylsulfonyl)phenyl]-2-[(benzoyl)amino]-1-propanol 
• 100-68-5 methyl-phenyl-thioether 
• 90919-11-2 β-chloroethyl p-methylthiophenyl ketone 
• 51458-28-7 (1R,2R)-2-amino-1-<4-(methylsulphonyl)phenyl>-1,3-propanediol 
• 23150-35-8 (R*,R*)-(+)-thiomicamine 
• 96795-00-5 D-threo-4,5-dihydro-5-(4-methylsulphonylphenyl)-2-phenyl-4-oxazolemethanol 

126428-97-5Downstream Products

• 76639-93-5 (1R,2S)-2-amino-3-fluoro-1-<4-(methylsulphonyl)phenyl>-1-propanol 
• 129126-23-4 D-(-)-threo-1-(4-(methylsulfonyl)phenyl)-2-amino-3-chloro-1-propanol hydrochloride 
• 73231-34-2 Florfenicol 

126428-97-5Relevant articles and documents

FLORFENICOL SYNTHESIZING METHOD

-

Paragraph 0116-0118, (2016/11/17)

The present invention discloses a new florfenicol synthesizing method. The method synthesizes florfenicol products meeting requirements of the Drug Administration by a series of combinations of cyclization, selective reduction, fluorinated open ring, deprotection and acylation, hydroxyl sulfoacid esterified configuration converting reaction, hydrolysis reaction and the like. The synthesizing method of the present invention utilizing chiral amine closed-ring aziridine three-membered ring uses a physical separation method to repeatedly purify chiral aminoketone of high yield obtaining single R configuration, and uses selective reduction and converts the configuration to obtain florfenicol, greatly improving atom economy, while avoiding waste water pollution caused by the existing process, and greatly reducing costs for treating waste water and reducing pollution to the environment, thus lowering costs and simplifying the process. In addition, the present invention uses triethylamine hydrofluoride as a fluorinated open-ring reagent, to improve safety of a liquid reaction compared to a gas reaction and reduce corrosion of equipment, facilitating industrial production.

Process for the synthesis of intermediates of chloramphenicol or its analogues

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Page/Page column 5, (2008/06/13)

The present invention relates to the synthesis of antibacterial compounds such as Chloramphenicol and its analogues Thiamphenicol and Florfenicol and particularly to a new reaction for the preparation of the intermediate compound aminodiolphenylsulfone. This reaction permits the introduction of modified residues to obtain modified antibiotics with an improved stability towards the action of bacterial resistant determinants. In addition, higher purities may be also obtained due to an improved procedure requiring fewer purification steps.

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