5-Chloro-2-ethylbenzofuran

Base Information

• Chemical Name: 5-Chloro-2-ethylbenzofuran
• CAS No.: 39178-59-1
• Molecular Formula: C10H9ClO
• Molecular Weight: 180.63
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50482251
• Wikidata: Q72450009
• Mol file: 39178-59-1.mol

Synonyms:5-CHLORO-2-ETHYLBENZOFURAN;39178-59-1;5-CHLORO-2-ETHYL-1-BENZOFURAN;2-ethyl-5-chlorobenzo[b]furan;SCHEMBL2056119;DTXSID50482251;AKSTZTXWHQYVDW-UHFFFAOYSA-N;AKOS006307340;CS-0367126

Chemical Property of 5-Chloro-2-ethylbenzofuran

Chemical Property:

• Vapor Pressure: 0.0397mmHg at 25°C
• Refractive Index: 1.587
• Boiling Point: 247.8 °C at 760 mmHg
• Flash Point: 103.6 °C
• PSA: 13.14000
• Density: 1.195 g/cm³
• LogP: 3.64860
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 180.0341926
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloro-2-ethylbenzofuran 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC2=C(O1)C=CC(=C2)Cl

Technology Process of 5-Chloro-2-ethylbenzofuran

There total 3 articles about 5-Chloro-2-ethylbenzofuran 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: 70.0%

2-(4-chloro-2-formylphenoxy)butanoic acid (799283-17-3) → 5-chloro-2-ethylbenzofuran (39178-59-1)

Guidance literature:

With sodium acetate; In acetic anhydride; acetic acid; for 7h; Heating;

DOI:10.1007/s10593-006-0194-z

Reference yield:

2-Acetyl-5-chlorobenzo[b]furan (1646-32-8) → 5-chloro-2-ethylbenzofuran (39178-59-1)

Guidance literature:

With hydrazine hydrate; diethylene glycol; anschliessend mit Kaliumhydroxid;

Reference yield:

5-chlorosalicyclaldehyde (635-93-8) → 5-chloro-2-ethylbenzofuran (39178-59-1)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: diethylene glycol; hydrazine hydrate / anschliessend mit Kaliumhydroxid

With hydrazine hydrate; diethylene glycol; benzene;

upstream raw materials:

2-Acetyl-5-chlorobenzo[b]furan

5-chlorosalicyclaldehyde

2-(4-chloro-2-formylphenoxy)butanoic acid

Downstream raw materials:

(2-ethyl-5-chloro-benzofuran-3-yl)-(4-methoxy-phenyl)-ketone

(2-ethyl-5-chloro-benzofuran-3-yl)-(4-hydroxy-phenyl)-ketone

2-Ethyl-5-chloro-3-(4-chloro-3-sulfamoylbenzoyl)-benzo[b]furan

C₁₉H₁₇ClO₃

Refernces