2,4,5-Trimethoxycinnamic acid

Base Information

• Chemical Name: 2,4,5-Trimethoxycinnamic acid
• CAS No.: 24160-53-0
• Molecular Formula: C12H14 O5
• Molecular Weight: 238.24
• Hs Code.: 29189900
• European Community (EC) Number: 246-047-2
• NSC Number: 89300
• UNII: 5T2L43DHK6
• Nikkaji Number: J287.172F,J307.779I
• ChEMBL ID: CHEMBL3931155
• Mol file: 24160-53-0.mol

Synonyms:2,4,5-trimethoxycinnamic acid

Chemical Property of 2,4,5-Trimethoxycinnamic acid

Chemical Property:

• Appearance/Colour: yellow crystalline powder.
• Vapor Pressure: 1.36E-07mmHg at 25°C
• Melting Point: 164-166 °C(lit.)
• Refractive Index: 1.4571 (estimate)
• Boiling Point: 413.9 °C at 760 mmHg
• Flash Point: 159.3 °C
• PSA: 64.99000
• Density: 1.209 g/cm³
• LogP: 1.81020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 238.08412354
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

2,4,5-Trimethoxycinnamic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C=CC(=O)O)OC)OC
• Isomeric SMILES: COC1=CC(=C(C=C1/C=C/C(=O)O)OC)OC

Technology Process of 2,4,5-Trimethoxycinnamic acid

There total 5 articles about 2,4,5-Trimethoxycinnamic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

malonic acid (141-82-2) + asaraldehyde (4460-86-0,14374-62-0) → 2,4,5-trimethoxycinnamic acid (24160-53-0)

Guidance literature:

With pyridine; at 60 - 100 ℃;

Reference yield:

(E)-3-(2,4,5-trimethoxy-phenyl)-acrylic acid methyl ester (80749-75-3) → 2,4,5-trimethoxycinnamic acid (24160-53-0)

Guidance literature:

With potassium carbonate;

Reference yield:

Scoparone (120-08-1) → 2,4,5-trimethoxycinnamic acid (24160-53-0)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH-solution

2: KOH-solution

With potassium hydroxide;

upstream raw materials:

malonic acid

asaraldehyde

(E)-3-(2,4,5-trimethoxy-phenyl)-acrylic acid methyl ester

dimethyl sulfate

Downstream raw materials:

(E)-1,2,4-trimethoxy-5-(3,3,3-trifluoroprop-1-en-1-yl)benzene

(E)-1-(3,3-difluoroprop-1-enyl)-2,4,5-trimethoxybenzene

asaronic acid

asaraldehyde