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HomeProduct name list2,3,4-Trimethoxybenzaldehyde

2,3,4-Trimethoxybenzaldehyde

  • CAS NO.:2103-57-3
  • Empirical Formula: C10H12O4
  • Molecular Weight: 196.2
  • MDL number: MFCD00003310
  • EINECS: 218-271-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-19 20:33:22
2,3,4-Trimethoxybenzaldehyde Structural

What is 2,3,4-Trimethoxybenzaldehyde?

Description

2,3,4-Trimethoxybenzaldehyde is a white crystalline powder, and the chemical formula is C 10H 12O 4; the molecular weight is 196.2; the fusing point is 38-40 degrees, and is a kind of important medicine intermediate; it is mainly used in new type drug Ca2+ Synthesizing of channel blocker. The alternative cerebral arteries that are used for this medicine reduce the headache incidence, mainly for the preparation of the intermediate of trimetazidine.

Synthesis

A coking gallic acid is utilized as a raw material, and dimethyl sulfate is utilized as an alkylate reagent; under the condition of the existence of sodium hydroxide, methylation is performed through an O-alkylation reaction to obtain an intermediate 1, 2, 3-trimethoxybenzene. After that, the 1,2, 3-trimethoxybenzene and a Vilsmeier-Haack reagent are subjected to a formylation reaction to get the 2,3,4-Trimethoxybenzaldehyde.

Chemical properties

white to light yellow crystals or cryst. powder

Description

2,3,4-Trimethoxybenzaldehyde is white crystalline powder, fusing point is the 38-40 degree, is a kind of important medicine intermediate, is mainly used in newtype drug Ca2+ Synthesizing of channel blocker.

The Uses of 2,3,4-Trimethoxybenzaldehyde

2,3,4-Trimethoxybenzaldehyde is a trimethoxylated aromatic aldehyde. 2,3,4-Trimethoxybenzaldehyde is an Impurity of the anti-anginal drug Trimetazidine (T795610).

The Uses of 2,3,4-Trimethoxybenzaldehyde

2,3,4-Trimethoxybenzaldehyde was used to study the effects of 2,3,4-trimethoxybenzaldehyde on tubulin-dependent GTP hydrolysis.

Preparation

The method includes that a coking gallic acid is utilized as a raw material, dimethyl sulfate is utilized as an alkylate reagent, under the condition of existence of sodium hydroxide, methylation is performed through an O-alkylation reaction to obtain an intermediate 1, 2, 3-trimethoxybenzene, and the 1 ,2, 3-trimethoxybenzene and a Vilsmeier-Haack reagent are subjected to a formylation reaction to obtain the 2, 3, 4-trimethoxybenzaldehyde.

Properties of 2,3,4-Trimethoxybenzaldehyde

Melting point: 38-40 °C(lit.)
Boiling point: 168-170 °C12 mm Hg(lit.)
Density  1.2166 (rough estimate)
refractive index  n20/D 1.5547(lit.)
Flash point: >230 °F
storage temp.  Inert atmosphere,2-8°C
solubility  methanol: 0.1 g/mL, clear
form  Crystals or Crystalline Powder
color  White to light yellow
Sensitive  Air Sensitive
BRN  981091
InChI InChI=1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3
CAS DataBase Reference 2103-57-3(CAS DataBase Reference)
NIST Chemistry Reference Benzaldehyde, 2,3,4-trimethoxy-(2103-57-3)
EPA Substance Registry System Benzaldehyde, 2,3,4-trimethoxy- (2103-57-3)

Safety information for 2,3,4-Trimethoxybenzaldehyde

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for 2,3,4-Trimethoxybenzaldehyde

InChIKey UCTUXUGXIFRVGX-UHFFFAOYSA-N
SMILES C(=O)C1=CC=C(OC)C(OC)=C1OC

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