| Identification | More | [Name]
2,4,6-Trimethoxybenzaldehyde | [CAS]
830-79-5 | [Synonyms]
2,4,6-TRIMETHOXYBENZALDEHYDE
AKOS BBS-00003255
PHLOROGLUCINALDEHYDE TRIMETHYL ETHER
PHLOROGLUCINOL ALDEHYDE TRIMETHYL ETHER
TIMTEC-BB SBB000351
Benzaldehyde, 2,4,6-trimethoxy-
2,4,6-Trimethoxybenzaldehyde98% | [EINECS(EC#)]
212-598-2 | [Molecular Formula]
C10H12O4 | [MDL Number]
MFCD00003313 | [Molecular Weight]
196.2 | [MOL File]
830-79-5.mol |
| Chemical Properties | Back Directory | [Appearance]
pink crystal power | [Melting point ]
115-120 °C (lit.) | [Boiling point ]
293.08°C (rough estimate) | [density ]
1.2166 (rough estimate) | [refractive index ]
1.5550 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Crystalline Powder | [color ]
Beige | [Water Solubility ]
Insoluble in water. | [Sensitive ]
Air Sensitive | [BRN ]
1956051 | [InChI]
InChI=1S/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3 | [InChIKey]
CRBZVDLXAIFERF-UHFFFAOYSA-N | [SMILES]
C(=O)C1=C(OC)C=C(OC)C=C1OC | [CAS DataBase Reference]
830-79-5(CAS DataBase Reference) | [NIST Chemistry Reference]
2,4,6-Trimethoxybenzaldehyde(830-79-5) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns. | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [RTECS ]
CU8460200
| [HS Code ]
29124990 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Government regulation-->Dimethyl sulfate-->Sodium Methoxide-->Copper(I) chloride-->1,2-Dichlorobenzene-->Formamide, N-(chloromethyl)-N-formyl--->1,3,5-Trimethoxy-4-iodobenzene-->2,4,6-TRIMETHOXYBENZYL ALCOHOL-->[(difluoromethyl)thio]benzene-->2',4',6'-TRIMETHOXYACETOPHENONE-->1,3,5-Trimethoxybenzene | [Preparation Products]
Pentaerythritol-->Bianthrone-->dracorhodin-->IC 261-->1-(2,4,6-TRIMETHOXY-PHENYL)-PROP-2-YN-1-OL |
| Hazard Information | Back Directory | [Chemical Properties]
pink crystal power | [Uses]
2,4,6-Trimethoxybenzaldehyde was used in the preparation and characterization of three RNA-specific fluorescent probes and their use in live cell imaging. It was used as starting reagent for the regioselective synthesis of new (+/-)-8-alkyl-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrocoumarins. | [General Description]
2,4,6-Trimethoxybenzaldehyde exhibits significant anti-candida activity. | [Synthesis]
The reaction system was cooled to -5 to 0 °C under nitrogen protection using 1,3,5-trimethoxybenzene (40 g, 0.22 mol) and N,N-dimethylformamide. Subsequently, phosphoryl chloride (48 g, 0.5 mol) was slowly added dropwise over 30 to 45 minutes. After the dropwise addition was completed, the reaction mixture was kept at 0 °C and stirring was continued for 1 hour. Upon completion of the reaction, the mixture was poured onto crushed ice and neutralized with saturated sodium carbonate solution. The precipitate precipitated was collected by filtration and washed with distilled water to give the final 2,4,6-trimethoxybenzaldehyde. Yield: 46 g (98% yield); 1H NMR (CDCl3): δ 10.35 (s, 1H), 6.67 (s, 2H), 3.88 (s, 6H), 3.87 (s, 3H); Mass Spectrum (MS): m/e 197 (M + 1). | [References]
[1] Journal of Chemical Research, Miniprint, 1991, # 9, p. 2401 - 2413
[2] Patent: WO2011/121505, 2011, A1. Location in patent: Page/Page column 42
[3] European Journal of Organic Chemistry, 2015, vol. 2015, # 28, p. 6359 - 6369
[4] Patent: US2017/182051, 2017, A1. Location in patent: Paragraph 0122
[5] Journal of Chemical Research, 2015, vol. 39, # 8, p. 458 - 461 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,4,6-Trimethoxybenzaldehyde(830-79-5)MS
2,4,6-Trimethoxybenzaldehyde(830-79-5)1HNMR
2,4,6-Trimethoxybenzaldehyde(830-79-5)13CNMR
2,4,6-Trimethoxybenzaldehyde(830-79-5)IR1
2,4,6-Trimethoxybenzaldehyde(830-79-5)IR2
2,4,6-Trimethoxybenzaldehyde(830-79-5)Raman
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