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.)

Flash point:

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 Information

Hazard Codes 

Xi

Safety Statements 

23-24/25

WGK Germany 

3

HS Code 

29093090

Storage Class

10 - Combustible liquids

MSDS

• Language:English Provider:3,4,5-Trimethoxytoluene
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

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(6443-69-2)Related Product Information

• Benzotrifluoride
• Mesitylene
• (Trifluoromethoxy)benzene
• Trimethyl phosphite
• Trimethoxymethane
• Anisole
• 4-(Trifluoromethoxy)aniline
• 1,2,4-Trimethylbenzene
• Colchicine
• 3,4,5-Trimethoxyphenylacetic acid
• 3,4,5-Trimethoxyphenylacetonitrile
• 3,4,5-Trimethoxybenzoyl chloride
• 3,4,5-TRIMETHOXYCINNAMIC ACID
• 3,4,5-Trimethoxybenzonitrile
• 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID
• 3,4,5-Trimethoxybenzyl alcohol
• Methyl 3,4,5-trimethoxybenzoate
• 2,4,6-Trinitrotoluene