2,3-Dihydro-3-isopropylbenzofuran

Base Information

• Chemical Name: 2,3-Dihydro-3-isopropylbenzofuran
• CAS No.: 3279-17-2
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• DSSTox Substance ID: DTXSID901279413
• Nikkaji Number: J1.218.869B
• Mol file: 3279-17-2.mol

Synonyms:3279-17-2;SCHEMBL13059129;DTXSID901279413;2,3-Dihydro-3-isopropylbenzofuran;2,3-Dihydro-3-(1-methylethyl)benzofuran;3-Isopropyl-2,3-dihydro-1-benzo[b]furan

Chemical Property of 2,3-Dihydro-3-isopropylbenzofuran

Chemical Property:

• Boiling Point: 60 °C (2 mmHg)
• PSA: 9.23000
• LogP: 2.81860
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1COC2=CC=CC=C12

Technology Process of 2,3-Dihydro-3-isopropylbenzofuran

There total 4 articles about 2,3-Dihydro-3-isopropylbenzofuran 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%

4-chloro-1-propynylbenzene (2809-65-6) + O-prenyl-2-iodophenol (120568-94-7) → 2,3-dihydro-3-isopropylbenzofuran (3279-17-2) + C20H21ClO

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; cesium acetate; copper diacetate; In tetrahydrofuran; at 100 ℃; for 48h; diastereoselective reaction;

DOI:10.1021/acscatal.7b01847

Reference yield: 25.0%

1-bromo-2-((3-methylbut-2-en-1-yl)oxy)benzene (96597-85-2) → 2,3-dihydro-3-isopropylbenzofuran (3279-17-2) + phenyl prenyl ether (14309-15-0)

Guidance literature:

With tetraethylammonium perchlorate; In acetonitrile; at 0 ℃; Electrochemical reaction; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.electacta.2012.03.130

Reference yield: 8.0%

1-chloro-2-((3-methylbut-2-en-1-yl)oxy)benzene → 2,3-dihydro-3-isopropylbenzofuran (3279-17-2) + phenyl prenyl ether (14309-15-0) + 3-(propen-2-yl)-2,3-dihydrobenzofuran

Guidance literature:

With caesium carbonate; In cyclohexane; at 20 ℃; for 16h; UV-irradiation;

DOI:10.1002/chem.200501392

upstream raw materials:

O-prenyl-2-iodophenol

1-bromo-2-((3-methylbut-2-en-1-yl)oxy)benzene

4-chloro-1-propynylbenzene

Refernces

• 1、 Garnier, Jean,Thomson, Douglas W.,Zhou, Shengze,Jolly, Phillip I.,Berlouis, Leonard E. A.,Murphy, John A.. "Hybrid super electron donors - Preparation and reactivity". supporting information; experimental part. p. 994 - 1002. Retrieved 2012/09/08.
• 2、 Dichiarante, Valentina,Fagnoni, Maurizio,Mella, Mariella,Albini, Angelo. "Intramolecular photoarylation of alkenes by phenyl cations". . p. 3905 - 3915. Retrieved 2008/02/06.