| Identification | More | [Name]
3,4,5-Trimethoxytoluene | [CAS]
6443-69-2 | [Synonyms]
3,4,5-TRIMETHOXYTOLUENE
5-METHYL PYROGALLOL TRIMETHYL ETHER
1,2,3-Trimethoxy-5-methylbenzene
5-Methyl-1,2,3-trimethoxybenzene
Benzene, 5-methyl-1,2,3-trimethoxy
Toluene, 3,4,5-trimethoxy-
3,4,5-Trimethoxytolune
3,4,5-trimethoxytoluen
Benzene, 1,2,3-trimethoxy-5-methyl- | [EINECS(EC#)]
229-239-0 | [Molecular Formula]
C10H14O3 | [MDL Number]
MFCD00008397 | [Molecular Weight]
182.22 | [MOL File]
6443-69-2.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR YELLOW LIQUID | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HS Code ]
29093090 | [Storage Class]
10 - Combustible liquids |
| Raw materials And Preparation Products | Back Directory | [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 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR YELLOW LIQUID | [Uses]
3,4,5-Trimethoxytoluene was used as a substructure model compound in the reaction of trimethoprim with free available chlorine (i.e. HOCl). | [Uses]
3,4,5-Trimethoxytoluene is a reagent for oxadiazolylindazole sodium channel modulators which are neuroprotective toward hippocampal neurons. | [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 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
3,4,5-Trimethoxytoluene(6443-69-2)MS
3,4,5-Trimethoxytoluene(6443-69-2)1HNMR
3,4,5-Trimethoxytoluene(6443-69-2)13CNMR
3,4,5-Trimethoxytoluene(6443-69-2)IR1
3,4,5-Trimethoxytoluene(6443-69-2)Raman
|
|
|