2-[3-(2-Furanyl)acryloyl]-4-chlorophenol

Base Information

• Chemical Name: 2-[3-(2-Furanyl)acryloyl]-4-chlorophenol
• CAS No.: 7209-79-2
• Molecular Formula: C13H9ClO3
• Molecular Weight: 248.666
• NSC Number: 72125
• DSSTox Substance ID: DTXSID70418214
• Nikkaji Number: J2.371.212A
• Wikidata: Q82228622
• Mol file: 7209-79-2.mol

Synonyms:2-[3-(2-Furanyl)acryloyl]-4-chlorophenol;MLS002693767;7209-79-2;(E)-1-(5-chloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one;NSC72125;DTXSID70418214;NSC-72125;AKOS002385532

Chemical Property of 2-[3-(2-Furanyl)acryloyl]-4-chlorophenol

Chemical Property:

• Vapor Pressure: 1.98E-07mmHg at 25°C
• Boiling Point: 413.6°Cat760mmHg
• Flash Point: 203.9°C
• Density: 1.358g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 248.0240218
• Heavy Atom Count: 17
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C=CC(=O)C2=C(C=CC(=C2)Cl)O
• Isomeric SMILES: C1=COC(=C1)/C=C/C(=O)C2=C(C=CC(=C2)Cl)O

Technology Process of 2-[3-(2-Furanyl)acryloyl]-4-chlorophenol

There total 1 articles about 2-[3-(2-Furanyl)acryloyl]-4-chlorophenol 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%

furfural (98-01-1) + 5-chloro-2-hydroxyacetophenone (1450-74-4) → 1-(5-chloro-2-hydroxyphenyl)-3-(furan-2-yl)propen-1-one (7209-79-2)

Guidance literature:

With sodium hydroxide; In ethanol; at 0 ℃; for 3h;

Reference yield: 71.0%

1-(5-chloro-2-hydroxyphenyl)-3-(furan-2-yl)propen-1-one (7209-79-2) + 2-amino-benzenethiol (137-07-5) → 4-Chloro-2-(2-furan-2-yl-2,3-dihydro-benzo[b][1,4]thiazepin-4-yl)-phenol (86882-16-8)

Guidance literature:

In methanol; acetic acid; Heating;

Reference yield:

1-(5-chloro-2-hydroxyphenyl)-3-(furan-2-yl)propen-1-one (7209-79-2) → 3-benzyloxy-6-chloro-2-(2'-furyl)-4-oxo-4H-1-benzopyran (112383-71-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / NaOH, 30percent H₂O₂ / methanol; H₂O / 5 h / 0 °C

2: 83 percent / KI, K₂CO₃ / acetone / 6 h / Heating

With sodium hydroxide; dihydrogen peroxide; potassium carbonate; potassium iodide; In methanol; water; acetone;

upstream raw materials:

furfural

5-chloro-2-hydroxyacetophenone

Downstream raw materials:

4-Chloro-2-(2-furan-2-yl-2,3-dihydro-benzo[b][1,4]thiazepin-4-yl)-phenol

3-benzyloxy-6-chloro-2-(2'-furyl)-4-oxo-4H-1-benzopyran

4-Chloro-2-(2-furan-2-yl-1,1-dioxo-2,3-dihydro-1H-1λ⁶-benzo[b][1,4]thiazepin-4-yl)-phenol