Benzofuran, 3-ethyl-

Base Information

• Chemical Name: Benzofuran, 3-ethyl-
• CAS No.: 36724-24-0
• Molecular Formula: C10H10O
• Molecular Weight: 146.18600
• DSSTox Substance ID: DTXSID10556205
• Nikkaji Number: J3.365.794C
• Mol file: 36724-24-0.mol

Synonyms:3-Ethylbenzofuran;36724-24-0;3-ethyl-1-benzofuran;3-ethyl-benzofuran;Benzofuran, 3-ethyl-;SCHEMBL1252407;DTXSID10556205;BELMSLQEYXXRGC-UHFFFAOYSA-N;AKOS006373247

Chemical Property of Benzofuran, 3-ethyl-

Chemical Property:

• PSA: 13.14000
• LogP: 2.99520
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 146.073164938
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=COC2=CC=CC=C21

Technology Process of Benzofuran, 3-ethyl-

There total 14 articles about Benzofuran, 3-ethyl- 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: 85.0%

2-(2-propanoylphenoxy)acetic acid (19728-14-4) → 3-ethylbenzo[b]furan (36724-24-0)

Guidance literature:

With sodium acetate; acetic anhydride;

DOI:10.1039/b710935k

Reference yield: 83.0%

(E)-1-(but-2-en-1-yloxy)-2-iodobenzene (120568-90-3) → 3-ethylbenzo[b]furan (36724-24-0)

Guidance literature:

With tetrabutyl-ammonium chloride; sodium formate; sodium carbonate; palladium diacetate; In N,N-dimethyl-formamide; at 80 ℃; for 48h;

DOI:10.1016/S0040-4039(00)80581-X

Reference yield: 65.0%

1-(but-2-yn-1-yloxy)-2-iodobenzene (1188474-17-0) → 3-ethylbenzo[b]furan (36724-24-0) + (Z)-3-ethylidene-2,3-dihydrobenzofuran (1188474-21-6) + (3E,3'E)-3,3'-(butane-2,3-diylidene)bis(2,3-dihydrobenzofuran) (1188474-22-7)

Guidance literature:

1-(but-2-yn-1-yloxy)-2-iodobenzene; With manganese; (2,2'-bipyridine)nickel(II) dibromide; trifluoroacetic acid; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h; Inert atmosphere;

With water; In N,N-dimethyl-formamide; optical yield given as %de;

DOI:10.1039/b902095k

upstream raw materials:

3-oxo-2,3-dihydrobenzo[b]furan

ethylmagnesium bromide

o-propionylphenoxyacetic acid

sodium acetate

Downstream raw materials:

1-(3-ethyl-2-benzofuranyl)-ethanon

3-ethyl-3-phenylbenzofuran-2(3H)-one