| Identification | More | [Name]
2,3,4-Trimethoxybenzoic acid | [CAS]
573-11-5 | [Synonyms]
2,3,4-TRIMETHOXYBENZOIC ACID
AKOS 214-77
LABOTEST-BB LT00454915
RARECHEM AL BO 0027
Benzoic acid, 2,3,4-trimethoxy-
2,3,4-TRIMETHOXYBENZOIC ACID, 98+%
2,3,4-Trimethoxybenzoic
2,3,4-TRIMETHOXYBENZOIC ACID 99% | [EINECS(EC#)]
209-350-0 | [Molecular Formula]
C10H12O5 | [MDL Number]
MFCD00002433 | [Molecular Weight]
212.2 | [MOL File]
573-11-5.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE TO OFF-WHITE CRYSTALLINE POWDER | [Melting point ]
99-102 °C (lit.) | [Boiling point ]
312.03°C (rough estimate) | [density ]
1.3006 (rough estimate) | [refractive index ]
1.5140 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Crystalline Powder | [pka]
4.24±0.10(Predicted) | [color ]
White to off-white | [BRN ]
2696073 | [InChI]
1S/C10H12O5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12) | [InChIKey]
HZNQSWJZTWOTKM-UHFFFAOYSA-N | [SMILES]
COc1ccc(C(O)=O)c(OC)c1OC | [CAS DataBase Reference]
573-11-5(CAS DataBase Reference) | [NIST Chemistry Reference]
2,3,4-Trimethoxybenzoic acid(573-11-5) |
| Safety Data | Back Directory | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HS Code ]
29189900 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
WHITE TO OFF-WHITE CRYSTALLINE POWDER | [Uses]
2,3,4-Trimethoxybenzoic acid was used in the synthesis of tropoloisoquinoline alkaloid pareitropone. It was also used in the synthesis of isomeric tris(pyrogallol) derivatives and naphthoic acid. | [Synthesis]
General procedure for the synthesis of 2,3,4-trimethoxybenzoic acid from 2,3,4-trimethoxybenzaldehyde: To a stirred solution of 2,3,4-trimethoxybenzaldehyde (24.4 g, 124.4 mmol) in methanol (200 mL) was added an aqueous 50% potassium hydroxide solution (KOH, 22.4 g). The mixture was then heated to reflux. A 30% hydrogen peroxide solution (180 mL) was added dropwise over 30 minutes and the mixture was continued to reflux for 8 hours. After the oxidation reaction was complete, the reaction mixture was cooled and sodium bisulfite (NaHSO3) was added. Methanol was removed by distillation under reduced pressure and the resulting solution was acidified to acidity with concentrated hydrochloric acid. The precipitated 2,3,4-trimethoxybenzoic acid (25.0 g, 95% yield) was collected by filtration. | [References]
[1] Bioorganic and Medicinal Chemistry, 2014, vol. 22, # 9, p. 2671 - 2677
[2] Tetrahedron Letters, 2008, vol. 49, # 6, p. 1083 - 1086
[3] Helvetica Chimica Acta, 1924, vol. 7, p. 362
[4] Synthetic Communications, 2006, vol. 36, # 5, p. 679 - 683 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,3,4-Trimethoxybenzoic acid(573-11-5)MS
2,3,4-Trimethoxybenzoic acid(573-11-5)1HNMR
2,3,4-Trimethoxybenzoic acid(573-11-5)13CNMR
2,3,4-Trimethoxybenzoic acid(573-11-5)IR1
2,3,4-Trimethoxybenzoic acid(573-11-5)IR2
2,3,4-Trimethoxybenzoic acid(573-11-5)Raman
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