3-Hydroxy-2-(4-methoxy-phenyl)-propenal

Base Information

• Chemical Name: 3-Hydroxy-2-(4-methoxy-phenyl)-propenal
• CAS No.: 53868-40-9
• Molecular Formula: C9H7ClO2
• Molecular Weight: 182.6
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID401234769
• Mol file: 53868-40-9.mol

Synonyms:3-HYDROXY-2-(4-METHOXY-PHENYL)-PROPENAL;53868-40-9;MFCD00832061;DTXSID401234769;(Z)-3-hydroxy-2-(4-methoxyphenyl)acrylaldehyde;alpha-(Hydroxymethylene)-4-methoxybenzeneacetaldehyde

Chemical Property of 3-Hydroxy-2-(4-methoxy-phenyl)-propenal

Chemical Property:

• Vapor Pressure: 5.4E-06mmHg at 25°C
• Melting Point: 137-143 °C
• Refractive Index: 1.557
• Boiling Point: 365.8°Cat760mmHg
• Flash Point: 149.3°C
• PSA: 46.53000
• Density: 1.167g/cm³
• LogP: 1.79300
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

98% ^*data from raw suppliers

(Z)-3-HYDROXY-2-(4-METHOXYPHENYL)ACRYLALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 34-22
• Safety Statements: 45-36/37/39-25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=CO)C=O

Technology Process of 3-Hydroxy-2-(4-methoxy-phenyl)-propenal

There total 4 articles about 3-Hydroxy-2-(4-methoxy-phenyl)-propenal 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: 80.0%

3-p-methoxyphenyl-1,1,5,5-tetramethyl-1H-1,5-diazapentadienium perchlorate → 4-methoxyphenylmalondialdehyde (53868-40-9)

Guidance literature:

With potassium hydroxide; In methanol; water; for 0.5h; Heating;

Reference yield:

3-dimethylamino-2-(4'-methoxyphenyl)propenylidene(dimethyl)ammonium tetrafluoroborate → 4-methoxyphenylmalondialdehyde (53868-40-9)

Guidance literature:

With sodium hydroxide; In ethanol; for 3h; Heating;

Reference yield:

4-Methoxyphenylacetic acid (104-01-8) → 4-methoxyphenylmalondialdehyde (53868-40-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) POCl₃, 2.) NaBF₄, Na₂CO₃ / 1.) 20 deg C to 70 deg C, 7.5 h, 2.) 1 h

2: 9.8 g / 25percent aq. NaOH / ethanol / 3 h / Heating

With sodium hydroxide; sodium tetrafluoroborate; sodium carbonate; trichlorophosphate; In ethanol;

upstream raw materials:

4-Methoxyphenylacetic acid

Downstream raw materials:

5,7-dihydroxy-4'-methoxyisoflavylium chloride

3-(bromo)-6-(4-methoxyphenyl)-pyrazolo(1,5-A)pyrimidine

3-(4-methoxy-phenyl)-thiophene

4-(4-methoxyphenyl)thiophene-2-carboxylic acid

Refernces

• 1、 Allen, David W.,Buckland, David J.,Hutley, Barrie G.. "Electronic Effects of Aryl and Heteroaryl Groups on the Rate of Nucleophilic Displacement of Chlorine from 5-Heteroaryl(or Aryl)-2-chloropyrimidines by Piperidine". . p. 463 - 467. Retrieved 2007/10/02.