84386-11-8

Basic information

• Product Name: Baxitozine
• Synonyms: Baxitozine;(E)-4-Oxo-4-(3,4,5-trimethoxyphenyl)-2-butenoic acid;RU-38086
• CAS NO: 84386-11-8
• Molecular Formula: C₁₃H₁₄O₆
• Molecular Weight: 266.248
• EINECS: 303-688-3
• Mol File: 84386-11-8.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 457.9oC at 760 mmHg
• Flash Point: 174.3oC
• Appearance: /
• Density: 1.242g/cm3
• Vapor Pressure: 3.52E-09mmHg at 25°C
• Refractive Index: 1.539
• CAS DataBase Reference: Baxitozine(CAS DataBase Reference)
• NIST Chemistry Reference: Baxitozine(84386-11-8)
• EPA Substance Registry System: Baxitozine(84386-11-8)

Safety Data

• Hazardous Substances Data: 84386-11-8(Hazardous Substances Data)

Usage

Originator

Baxitozine,ZYF Pharm Chemical

Manufacturing Process

29.6 g of glyoxylic acid of 50% by weight are heated in water under reduced pressure until elimination of 80% of the water present, whereupon, after cooling, 84.1 g of 3,4,5-trimethoxy acetophenone are introduced into the reaction mixture. Heating is effected for 2 h at 95°-100°C under reduced pressure (about 50 mm/Hg), at the same time distilling off the residual water present. After cooling of the medium, 120 ml of water containing 11.6 g of sodium carbonate and ether are introduced, the aqueous phase is decanted and washed with : ether, whereupon the aqueous phase is acidified to a pH of 1 with 50% hydrochloric acid. The desired product is extracted with ethyl acetate. After elimination of the extraction solvent 31.5 g of the 4-(3,4,5- trimethoxyphenyl)-4-oxo-2-hydroxy butanoic acid, melting point 119°-120° are obtained (recrystallization from 1,2-dichloroethane). 15.8 g of 4-(3,4,5-trimethoxyphenyl)-4-oxo-2-hydroxy butanoic acid, 20 ml of acetic acid and 20 ml of concentrated hydrochloric acid (d-1.18) are heated for 2.5 h under reflux. The reaction medium is cooled and precipitated by water. The precipitate formed is filtered off. 10.5 g of the (E)-4-(3,4,5- trimethoxyphenyl)-4-oxo-2-butenoic acid, melting point 140°C are obtained (recrystallization from ethanol-water 1:1).

Therapeutic Function

Gastric cytoprotective; Antiulcer

InChI:InChI=1/C13H14O6/c1-17-10-6-8(9(14)4-5-12(15)16)7-11(18-2)13(10)19-3/h4-7H,1-3H3,(H,15,16)/b5-4+

Upstream product

• 1136-86-3 methyl (3,4,5-trimethoxyphenyl) ketone 
• 298-12-4 Glyoxilic acid 
• 118779-14-9 N-methoxy-N-methyl-3,4,5-trimethoxybenzamide 
• 4521-61-3 3,4,5-Trimethoxybenzoyl chloride 
• 86-81-7 3,4,5-trimethoxy-benzaldehyde 
• 118741-90-5 4,4-diethoxy-3',4',5'-trimethoxybut-2-ynophenone 
• 84386-09-4 4-(3,4,5-trimethoxyphenyl)-4-oxo-2-hydroxy butanoic acid 

Downstream Products

• 84386-15-2 (E)-methyl 4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoate 
• 84386-13-0 Sodium salt of (E)-4-(3,4,5-trimethoxyphenyl)-4-oxo-2-butenoic acid 

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