204254-84-2

Basic information

• Product Name: 1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-diMethyl-7-[(Methylsulfonyl)oxy]-, ethyl ester, (3aR,7R,7aR)-
• Synonyms: 1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-diMethyl-7-[(Methylsulfonyl)oxy]-, ethyl ester, (3aR,7R,7aR)-;Ethyl 3,4-O-Isopropylidene-5-O-MethanesulfonylshikiMate
• CAS NO: 204254-84-2
• Molecular Formula: C13H20O7S
• Molecular Weight: 320.3587
• EINECS: -0
• Mol File: 204254-84-2.mol
• Article Data: 5

Chemical Properties

• Melting Point: 101-102 °C
• Boiling Point: 452.07°C at 760 mmHg
• Flash Point: 227.204°C
• Appearance: /
• Density: 1.321g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.52
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly), Met
• CAS DataBase Reference: 1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-diMethyl-7-[(Methylsulfonyl)oxy]-, ethyl ester, (3aR,7R,7aR)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-diMethyl-7-[(Methylsulfonyl)oxy]-, ethyl ester, (3aR,7R,7aR)-(204254-84-2)
• EPA Substance Registry System: 1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-diMethyl-7-[(Methylsulfonyl)oxy]-, ethyl ester, (3aR,7R,7aR)-(204254-84-2)

Safety Data

• Hazardous Substances Data: 204254-84-2(Hazardous Substances Data)

Usage

Uses

Ethyl 3,4-O-Isopropylidene-5-O-methanesulfonylshikimate is an intermediate in the synthesis of neuraminidase inhibitors.

InChI:InChI=1/C13H20O7S/c1-5-17-12(14)8-6-9-11(19-13(2,3)18-9)10(7-8)20-21(4,15)16/h6,9-11H,5,7H2,1-4H3/t9-,10-,11-/m1/s1

Upstream product

• 77-76-9 2,2-dimethoxy-propane 
• 77-95-2 D-(-)-quinic acid 
• 32384-42-2 (1S,3R,4S,5R)-3,4-O-isopropylidene-1,5-quinic lactone 
• 64-17-5 ethanol 
• 138-59-0 shikimic acid 
• 124-63-0 methanesulfonyl chloride 
• 136994-78-0 ethyl (3aR,7R,7aS)-2,2-dimethyl-7-hydroxy-3a,6,7,7a-tetrahydrobenzo[1,3]dioxole-5-carboxylate 
• 101769-63-5 (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid ethyl ester 
• 204254-81-9 ethyl (3aR,5S,7R,7aR)-5-hydroxy-7-methanesulfonyloxy-2,2-dimethylhexahydrobenzo[1,3]dioxole-5-carboxylate 
• 123-75-1 pyrrolidine 

Downstream Products

• 204255-09-4 oseltamivir hydrochloride 
• 196618-13-0 oseltamivir 
• 204255-00-5 ethyl (3R,4S,5R)-4-azido-3-(1-ethylpropoxy)-5-hydroxy-1-cyclohexene-1-carboxylate 
• 204254-98-8 ethyl-(3R,4S,5R)-5-azido-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate 
• 204254-92-2 ethyl (3R,4R,5R)-3-(1-ethyl-propoxy)-4-hydroxy-5-methanesulfonyloxycyclohex-1-ene-1-carboxylate 
• 204255-11-8 oseltamivir phosphate 
• 204255-02-7 ethyl-(1R,5R,6R)-5-(pentan-3-yloxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate 
• 204254-96-6 (1S,5R,6S)-5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid ethyl ester 
• 204255-06-1 oseltamivir 
• 204255-04-9 ethyl-(3R,4R,5S)-4-amino-5-azido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate 
• 204254-90-0 ethyl (3aR,7R,7aR)-2,2-dimethyl-7-methanesulfonyloxy-3a,6,7,7a-tetrahydrobenzo[1,3]dioxole-5-carboxylate 

Relevant articles and documents

Process for synthesizing oseltamivir sulfonate from quinic acid

The invention discloses a process for synthesizing oseltamivir sulfonate from quinic acid. The process specifically comprises the following steps of: S1, adding quinic acid and ethyl acetate into a round-bottom flask, and adding p-toluenesulfonic acid and 2, 2-dimethoxypropane, carrying out reaction to obtain a brown solid 2; S2, adding the brown solid 2 and dichloromethane into the round-bottom flask, dropwise adding methanesulfonyl chloride and triethylamine into the round-bottom flask while performing stirring, and carrying out reaction to obtain an intermediate 3; S3, adding the obtained intermediate 3 into a three-neck flask, adding ethanol and sodium ethoxide for reaction, and removing the dichloromethane after finishing the reaction to obtain an intermediate 4; and S4, adding the intermediate 4 and dichloromethane into the round-bottom flask, dropwise adding the methanesulfonyl chloride and triethylamine into the round-bottom flask while performing stirring, extracting a reaction solution with dichloromethane and water after finishing the reaction, concentrating an obtained organic phase under reduced pressure, adding methanol for crystallization, and performing filtering toobtain a white crystal 5, namely oseltamivir sulfonate.

METHOD FOR PREVENTING OR TREATING ARRHYTHMIA, METHOD FOR PREVENTING OR TREATING ATRIAL FIBRILLATION, MODEL OF SUSTAINED ATRIAL FIBRILLATION, METHOD FOR PRODUCING THE MODEL, AND METHOD FOR SCREENING FOR ATRIAL FIBRILLATION INHIBITOR

A method for preventing or treating atrial fibrillation, including: administering, to an individual, an atrial fibrillation inhibitor containing a compound expressed by one of the following Structural Formulas (I) to (VI) or a pharmacologically acceptable salt thereof: where in the Structural Formula (III), Gluc refers to glucuronic acid,

Practical Total Synthesis of the Anti-Influenza Drug GS-4104

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