3-(Iodomethyl)-2,3-dihydro-1-benzofuran

Base Information

• Chemical Name: 3-(Iodomethyl)-2,3-dihydro-1-benzofuran
• CAS No.: 78739-83-0
• Molecular Formula: C9H9IO
• Molecular Weight: 260.074
• DSSTox Substance ID: DTXSID00376691
• Nikkaji Number: J2.021.508I
• Mol file: 78739-83-0.mol

Synonyms:78739-83-0;3-(iodomethyl)-2,3-dihydro-1-benzofuran;2,3-DIHYDRO-3-(IODOMETHYL)-BENZOFURAN;2,3-Dihydro-3-(iodomethyl)benzofuran;DTXSID00376691;AKOS017560266;3-(iodo-methyl)-2,3-dihydro-benzofuran;2,3-dihydro-3-(iodomethyl)benzo[b]furan;FT-0712733

Chemical Property of 3-(Iodomethyl)-2,3-dihydro-1-benzofuran

Chemical Property:

• Vapor Pressure: 0.00604mmHg at 25°C
• Refractive Index: 1.628
• Boiling Point: 281.5 °C at 760 mmHg
• Flash Point: 124.1 °C
• PSA: 9.23000
• Density: 1.74 g/cm³
• LogP: 2.59760
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 259.96981
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

2,3-DIHYDRO-3-(IODOMETHYL)-BENZOFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2=CC=CC=C2O1)CI

Technology Process of 3-(Iodomethyl)-2,3-dihydro-1-benzofuran

There total 1 articles about 3-(Iodomethyl)-2,3-dihydro-1-benzofuran 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: 42.0%

→ 3-methyl-benzofuran (21535-97-7) + 2,3-dihydro-3-(iodomethyl)benzo{b}furan (78739-83-0)

Guidance literature:

With iodine; In pyridine; for 44h; Heating;

Reference yield: 67.0%

sodium p-thiocresolate (10486-08-5) + 2,3-dihydro-3-(iodomethyl)benzo{b}furan (78739-83-0) → 3-((p-tolylthio)methyl)-2,3-dihydrobenzofuran

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1002/chem.201603608

Reference yield:

2,3-dihydro-3-(iodomethyl)benzo{b}furan (78739-83-0) + 4-methoxy-benzaldehyde (123-11-5) → 1-(4-methoxyphenyl)-2-<3-(2H,3H-benzofurfuryl)>ethanol (133665-76-6,134659-15-7)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; samarium diiodide; Yield given. Multistep reaction; 1.) THF, 25 deg C, 5 min, 2.) THF, 25 deg C, 30 - 40 min;

DOI:10.1021/ja00041a024

Downstream raw materials:

3-<<3-(2H,3H-benzofurfuryl)>methyl>cyclohexan-1-one

1-(4-methoxyphenyl)-2-<3-(2H,3H-benzofurfuryl)>ethanol

1-<3-(2H,3H-benzofurfuryl)methyl>-4-tert-butylcyclohexan-1-ol (axial epimer)

1-<3-(2H,3H-benzofurfuryl)methyl>-4-tert-butylcyclohexan-1-ol (equatorial epimer)

Refernces