| Identification | More | [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 Properties | Back 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 | [InChI]
InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19) | [InChIKey]
YPTFHLJNWSJXKG-UHFFFAOYSA-N | [SMILES]
C1(C(=O)CCC(=O)O)=CC(=C(OCC)C=C1OCC)OCC | [CAS DataBase Reference]
41826-92-0(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Originator]
Supacal,Takeda,Japan,1981 | [Uses]
Trepibutone is used for choleretic and litholytic purposes. | [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 |
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