2-Butylbenzofuran

Base Information

• Chemical Name: 2-Butylbenzofuran
• CAS No.: 4265-27-4
• Molecular Formula: C12H14O
• Molecular Weight: 174.243
• Hs Code.: 2932999099
• European Community (EC) Number: 224-250-7
• UNII: 3KA2P78NH7
• DSSTox Substance ID: DTXSID90195378
• Nikkaji Number: J150.055D
• Wikidata: Q72514032
• Mol file: 4265-27-4.mol

Synonyms:2-Butylbenzofuran;4265-27-4;2-Butyl-1-benzofuran;Benzofuran, 2-butyl-;2-n-Butylbenzo[b]furan;2-Butyl-benzofuran;2-n-Butylbenzofuran;2-butylbenzo[b]furan;EINECS 224-250-7;butylbenzofuran;2-n-Butylbezofuran;Butyl-2-benzofuran;2-n-butylbenzofurane;2-n-butyl-benzofuran;2-butyl benzo[b]furan;2-Butyl-1-benzofuran #;3KA2P78NH7;SCHEMBL1287509;OVJKFJDEVKABNF-UHFFFAOYSA-;AMY3319;DTXSID90195378;MFCD00005851;AKOS009031452;AC-18725;AS-56882;B1824;CS-0206015;FT-0611635;EN300-20331;D87773;A825975;W-106267;Z104477760

Chemical Property of 2-Butylbenzofuran

Chemical Property:

• Appearance/Colour: pale yellow
• Vapor Pressure: 0.039mmHg at 25°C
• Refractive Index: 1.5330
• Boiling Point: 248.1 °C at 760 mmHg
• Flash Point: 101.1 °C
• PSA: 13.14000
• Density: 1.011 g/cm³
• LogP: 3.77540
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

98%, ^*data from raw suppliers

2-Butylbenzofuran ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=CC2=CC=CC=C2O1
• Uses: 2-Butylbenzofuran is used in process for prepn. of Amiodarone key intermediate 2-butyl-3-(3,5-diiodo-4-hydroxybenzoyl)benzofuran.

Technology Process of 2-Butylbenzofuran

There total 56 articles about 2-Butylbenzofuran 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: 100.0%

1-chloro-2-(2-hydroxyphenyl)-hexan-2-ol (1248340-86-4) → 2-n-butylbenzo[b]furan (4265-27-4)

Guidance literature:

1-chloro-2-(2-hydroxyphenyl)-hexan-2-ol; With butyl magnesium bromide; In tetrahydrofuran; at 20 ℃; for 12h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; water; at 70 ℃; for 0.166667h;

DOI:10.1021/ol102123u

Reference yield: 99.0%

2-(hex-1-yn-1-yl)phenol (125345-27-9) → 2-n-butylbenzo[b]furan (4265-27-4)

Guidance literature:

2-(hex-1-yn-1-yl)phenol; With N,N,N,N,-tetramethylethylenediamine; diethylzinc; In toluene; at 120 ℃; for 1h;

With ammonium chloride; In toluene;

DOI:10.1002/anie.200502920

Reference yield: 96.6%

2-Iodophenol (533-58-4) + hex-1-yne (693-02-7) → 2-n-butylbenzo[b]furan (4265-27-4)

Guidance literature:

With copper(l) iodide; tetra-(n-butyl)ammonium iodide; potassium carbonate; palladium; In toluene; at 40 ℃; Reagent/catalyst; Temperature; Inert atmosphere;

upstream raw materials:

1-benzofurane

1-iodo-butane

sodium phenoxide

(2-Pentanoyloxy-benzyl)-triphenyl-phosphonium; bromide

Downstream raw materials:

2-n-butyl-3-[N-(4-methyl-benzenesulfonyl)-4-aminobenzoyl]-benzofuran

2-n-butyl 3-(4-methoxy benzoyl)-benzofuran

2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran

2-butyl-3-phenylbenzofuran

Refernces

• 1、 Liu, Juyan,Tian, Miaomiao,Li, Ankun,Ji, Liangshuo,Qiu, Di,Zhao, Xia. "Acid-promoted selective synthesis of trifluoromethylselenolated benzofurans with Se-(trifluoromethyl) 4-methylbenzenesulfonoselenoate". supporting information. . Retrieved 2021/02/01.
• 2、 -. "PALLADIUM ACYCLIC DIAMINOCARBENE COMPLEXES AS PRECATALYSTS FOR HIYAMA COUPLING AND THE TANDEM ONE-POT FLUORIDE FREE HIYAMA COUPLING/CYCLIZATION FOR THE SYNTHESIS OF BIOLOGICALLY RELEVANT". Paragraph 0108; 0109; 0114-0115. . Retrieved 2020/05/06.