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| | 3,4,5-Trimethoxytoluene Basic information |
| Product Name: | 3,4,5-Trimethoxytoluene | | Synonyms: | 5-Methyl-1,2,3-trimethoxybenzene;Benzene, 5-methyl-1,2,3-trimethoxy;Toluene, 3,4,5-trimethoxy-;5-METHYL PYROGALLOL TRIMETHYL ETHER;3,4,5-TRIMETHOXYTOLUENE;3,4,5-Trimethoxytolu;3,4,5-Trimethoxytolune;3,4,5-trimethoxytoluen | | CAS: | 6443-69-2 | | MF: | C10H14O3 | | MW: | 182.22 | | EINECS: | 229-239-0 | | Product Categories: | Aromatic Hydrocarbons (substituted) & Derivatives;Anisoles, Alkyloxy Compounds & Phenylacetates | | Mol File: | 6443-69-2.mol |  |
| | 3,4,5-Trimethoxytoluene Chemical Properties |
| Melting point | 24-26 °C (lit.) | | Boiling point | 117-118 °C/5 mmHg (lit.) | | density | 1.082 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.523(lit.) | | Fp | 166 °F | | storage temp. | Sealed in dry,Room Temperature | | form | powder to lump to clear liquid | | color | White or Colorless to Light yellow | | Specific Gravity | 1.082 | | BRN | 1953791 | | InChI | 1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3 | | InChIKey | KCIZTNZGSBSSRM-UHFFFAOYSA-N | | SMILES | COc1cc(C)cc(OC)c1OC | | LogP | 1.819 (est) | | CAS DataBase Reference | 6443-69-2(CAS DataBase Reference) | | NIST Chemistry Reference | Benzene, 1,2,3-trimethoxy-5-methyl-(6443-69-2) |
| Hazard Codes | Xi | | Safety Statements | 23-24/25 | | WGK Germany | 3 | | HS Code | 29093090 | | Storage Class | 10 - Combustible liquids |
| | 3,4,5-Trimethoxytoluene Usage And Synthesis |
| Chemical Properties | CLEAR YELLOW LIQUID | | Uses | 3,4,5-Trimethoxytoluene is a reagent for oxadiazolylindazole sodium channel modulators which are neuroprotective toward hippocampal neurons. | | Uses | 3,4,5-Trimethoxytoluene was used as a substructure model compound in the reaction of trimethoprim with free available chlorine (i.e. HOCl). | | Definition | ChEBI: 3,4,5-Trimethoxytoluene is a member of methoxybenzenes. | | Synthesis | Using 3,4,5-trimethoxybenzaldehyde as the starting material, referring to the synthesis method of Example 2, 10 g of 3,4,5-trimethoxybenzaldehyde was dissolved in 100 g of tetrahydrofuran, 1 g of Catalyst B was added, and the hydrogenation reaction was carried out under hydrogen atmosphere. Upon completion of the reaction, the aldehyde group conversion was confirmed to be 100% by testing. The isolated yield of the target product 3,4,5-trimethoxytoluene was 96% based on the initial addition of 3,4,5-trimethoxybenzaldehyde. | | References | [1] Bioorganic Chemistry, 2016, vol. 68, p. 214 - 218
[2] Tetrahedron, 2007, vol. 63, # 38, p. 9382 - 9386
[3] Synthesis, 1993, # 8, p. 797 - 802
[4] Synthetic Communications, 2006, vol. 36, # 14, p. 1961 - 1965
[5] Journal of Chemical Research, 2010, vol. 34, # 12, p. 717 - 718 |
| | 3,4,5-Trimethoxytoluene Preparation Products And Raw materials |
| Raw materials | 1,2,3-Trimethoxy-5-(methoxymethyl)benzene-->Hydrogen-->Tetrahydrofuran-->Methanol-->3,4,5-Trimethoxybenzyl alcohol-->3,4,5-Trimethoxybenzaldehyde | | Preparation Products | Idebenone-->3,5-Dimethoxytoluene-->2,3-Dimethoxy-5-methyl-p-benzoquinone-->5-BROMOMETHYL-1,2,3-TRIMETHOXY-BENZENE-->5-METHYLPYROGALLOL-->2,3-Dimethoxy-5-methyl-1,4-hydroquinone-->2,6-DIMETHOXY-4-METHYLPHENOL |
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