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ChemicalBook--->CAS DataBase List--->41826-92-0

41826-92-0

41826-92-0 Structure

41826-92-0 Structure
IdentificationMore
[Name]

Trepibutone
[CAS]

41826-92-0
[Synonyms]

TREPIBUTONE
2,4,5-triethoxy-gamma-oxobenzenebutanoicacid
3-(2,4,5-triethoxybenzoyl)-propionicaci
3-(2,4,5-triethoxybenzoyl)propionicacid
aa149
colibil
supacal
4-Oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
2,4,5-Triethoxy-γ-oxobenzenebutanoic acid
4-(2,4,5-Triethoxyphenyl)-4-oxobutanoic acid
[Molecular Formula]

C16H22O6
[MDL Number]

MFCD00865221
[Molecular Weight]

310.34
[MOL File]

41826-92-0.mol
Chemical PropertiesBack Directory
[Melting point ]

150-151°
[Boiling point ]

370.51°C (rough estimate)
[density ]

1.1625 (rough estimate)
[refractive index ]

1.4600 (estimate)
[form ]

Solid
[pka]

4.40±0.17(Predicted)
[color ]

White to off-white
[CAS DataBase Reference]

41826-92-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Succinic anhydride-->1,4-Benzoquinone-->Diethyl sulfate-->1,2,4-Triethoxybenzene-->Mono-methyl succinate
Hazard InformationBack Directory
[Originator]

Supacal,Takeda,Japan,1981
[Definition]

ChEBI: Trepibutone is an organic molecular entity.
[Manufacturing Process]

To a mixture of 7.5 parts by weight of 1,2,4-triethoxybenzene, 40 parts by volume of tetrachloroethane and 7.5 parts by weight of succinic anhydride are added 23 parts by weight of anhydrous aluminum chloride. The mixture is stirred for 1 hour at 25°C and for another 2 hours at 60°C. After addition of 50 parts by weight of ice and 50 parts by volume of concentrated hydrochloric acid, the reaction mixture is subjected to steam distillation.
After cooling crystals separated from the remaining liquid are collected by filtration and recrystallized from aqueous ethanol, whereby 2.5 parts by weight of 3-(2',4',5'-triethoxybenzoyl)-propionic acid are obtained as colorless needles, melting point 150°C to 151°C.
[Therapeutic Function]

Choleretic
Spectrum DetailBack Directory
[Spectrum Detail]

Trepibutone(41826-92-0)1HNMR
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