1985607-83-7

Basic information

• Product Name: Zofluza intermediate
• Synonyms: Zofluza intermediate;CPD1605;7,8-difluoro-6,11-dihydro-Dibenzo[b,e]thiepin-11-ol
• CAS NO: 1985607-83-7
• Molecular Formula: C14H10F2OS
• Molecular Weight: 264.29
• EINECS: -0
• Mol File: 1985607-83-7.mol

Chemical Properties

• Boiling Point: 379.5±42.0 °C(Predicted)
• Appearance: /
• Density: 1.400±0.06 g/cm3(Predicted)
• PKA: 12.57±0.20(Predicted)
• CAS DataBase Reference: Zofluza intermediate(CAS DataBase Reference)
• NIST Chemistry Reference: Zofluza intermediate(1985607-83-7)
• EPA Substance Registry System: Zofluza intermediate(1985607-83-7)

Safety Data

• Hazardous Substances Data: 1985607-83-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Zofluza intermediate is used as a key component in the synthesis process for producing Zofluza, a medication intended to combat influenza. Its role is pivotal in the development of the final active pharmaceutical ingredient (API), ensuring the efficacy and safety of the medication in treating influenza in patients above the age of 12. The intermediate's precise function in the synthesis process is tailored to optimize the production of the API, contributing to the overall effectiveness of the drug in inhibiting the replication of the influenza virus and reducing the illness's duration.

Upstream product

• 455-86-7 3,4-Difluorobenzoic acid 
• 2136287-65-3 3,4-difluoro-2-((phenylthio)methyl)benzoic acid 
• 2136287-66-4 7,8-difluoro-6,11-dihydrodibenzo[b,e]thiazepin-11-one 
• 446-57-1 1-(chloromethyl)-2,3-difluorobenzene 
• 367-11-3 ortho-difluorobenzene 
• 2646-91-5 2,3-difluorobenzaldehyde 
• 75853-18-8 (2,3-difluoro-phenyl)-methanol 
• 147-93-3 Thiosalicylic acid 
• 847502-84-5 3,4-difluoro-2-methylbenzaldehyde 
• 157652-31-8 3,4-difluoro-2-methyl benzoic acid 
• 1807193-48-1 1-bromo-2-(bromomethyl)-3,4-difluorobenzene 
• 651326-72-6 (6-bromo-2,3-difluorophenyl)methanol 
• 108-98-5 thiophenol 
• 160775-14-4 3,4-difluoro-2-methylbenzoic acid methyl ester 

Downstream Products

• 1985605-59-1 (R)-12-((S)-7,8-difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-7-hydroxy-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione 

Relevant articles and documents

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The invention discloses a synthesis method of a baloxavir marboxil intermediate. The synthesis method comprises the following steps of: taking 7,8-difluorodibenzo[B,E]thiophene-11(6H)-ketone as a raw material, adopting chloro(R,R)-N-(tosyl)-1,2-diphenyl ethylene diamine(chloro)(p-propyl toluene) ruthenium (II) or chloro(S,S)-N-(tosyl)-1,2-diphenyl ethylene diamine(chloro)(p-propyl toluene) ruthenium (II) as a catalyst, reducing carbonyl into chiral alcohol so as to obtain an intermediate namely chiral 7,8-difluoro-dihydrodibenzo[b,e]thiepin-11-ol for synthesizing baloxavir marboxil. The optical purity of baloxavir marboxil synthesized from the intermediate is 98.0% or more, the subsequent purification processes are reduced, the yield is increased, the cost is reduced, and the synthesis method is more suitable for commercial production.

Dibenzo seven-membered ring derivative as well as preparation method and application thereof

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Preparation method of chiral dibenzo[b,e]thiepin-11-ol

The invention discloses a preparation method of chiral dibenzo[b,e]thiepin-11-ol. The method comprises the following steps: dissolving a compound 3 into an organic solvent, performing reduction on thecompound 3 under catalysis of (S)-2-R-CBS-oxazaborolidine or (R)-2-R-CBS-oxazaborolidine under the action of borane to obtain the (R)-1 or (S)-1 with high chiral purity. The method provided bythe invention is simple and convenient to operate and suitable for industrial production.

Method for synthesizing novel anti-influenza drug

The invention discloses a method for synthesizing a novel anti-influenza drug baloxavir marboxil. The method comprises the following steps: directly docking a thiosalicylic acid compound 1 and a 1-(halogenated methyl)-2,3-difluorobenzene compound 2 serving as initial raw materials so as to obtain a compound 3; performing PPA ring closure to obtain a 7,8-difluorodibenzo[b,e]thiozepine-11(6H)-one compound 4, and obtaining a key chiral thiazem intermediate compound 5 under catalysis of a chiral enzyme; directly condensating the compound 5 and a key chiral fragment compound 6 by virtue of a Mitsubobu reaction so as to obtain a compound 7; finally performing dealkylation protection, and condensating with ((methoxycarbonyl)oxo)4-methyl-toluenesulfonate, so as to obtain the final product compound9, namely the baloxavir marboxil. According to the synthetic route, the process operation magnification difficulty of the route is reduced, the production of by-products is reduced, the product purity is improved, and the cost of the route is reduced.

Development of a Quality Controllable and Scalable Process for the Preparation of 7,8-Difluoro-6,11-dihydrodibenzo[ b, e]thiepin-11-ol: A Key Intermediate for Baloxavir Marboxil

A novel six-step synthesis of 7,8-difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol (1) is described. Starting with 3,4-difloro-2-methylbenzoic acid and using diphenyl disulfide as an ideal sulfur source effectively solve the problems such as harsh reaction conditions, usage of smelly thiophenol, which might restrict the known process from pilot plant application. Large-scale applicability of this new route has been successfully demonstrated on kilogram-scale production to afford 1 with 98.04% purity in 75% overall yield. Meanwhile, the corresponding impurity profile was thus studied in detail and well documented.