2-Isopropylfuran

Base Information

• Chemical Name: 2-Isopropylfuran
• CAS No.: 10599-59-4
• Molecular Formula: C7H10O
• Molecular Weight: 110.156
• Hs Code.: 2932190090
• UNII: B44A434J7U
• DSSTox Substance ID: DTXSID50480176
• Metabolomics Workbench ID: 48962
• Nikkaji Number: J2.359.799C
• Wikidata: Q72485871
• Mol file: 10599-59-4.mol

Synonyms:2-isopropylfuran;10599-59-4;2-propan-2-ylfuran;2-(propan-2-yl)furan;B44A434J7U;Furan, (1-methylethyl)-;isopropylfuran;2-isopropyl-furan;2-propan-2-yluran;SCHEMBL80874;UNII-B44A434J7U;2-(1-Methylethyl)furan, 9CI;DTXSID50480176;CHEBI:184504;AMY39189;AKOS006305686;DS-6277;SB60995;CS-0039071;A801350

Chemical Property of 2-Isopropylfuran

Chemical Property:

• Vapor Pressure: 79.5mmHg at 25°C
• Melting Point: 198 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• Refractive Index: 1.447
• Boiling Point: 84.8 °C at 760 mmHg
• PSA: 13.14000
• Density: 0.9 g/cm³
• LogP: 2.40300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 110.073164938
• Heavy Atom Count: 8
• Complexity: 68.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Isopropylfuran 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CO1

Technology Process of 2-Isopropylfuran

There total 14 articles about 2-Isopropylfuran 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: 84.0%

2-(prop-1-en-2-yl)furan (6137-68-4) → 2-isopropylfuran (10599-59-4)

Guidance literature:

With hydrogen; platinum(IV) oxide; under 1520 - 2280 Torr;

DOI:10.1016/S0040-4039(00)82311-4

Reference yield: 40.0%

furan (110-00-9) + isopropylmagnesium chloride (1068-55-9) → 2-isopropylfuran (10599-59-4)

Guidance literature:

With C₃₁H₃₈ClN₃NiO₂^(1-)*Li⁽¹⁺⁾; In diethyl ether; ethylene dibromide; at 25 ℃; for 1h; Inert atmosphere;

DOI:10.1007/s10562-013-1170-8

Reference yield:

furan (110-00-9) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 2-isopropylfuran (10599-59-4) + 1-chloro-4-propylbenzene (52944-34-0)

Guidance literature:

With [(^tbpy)₂Pt(Ph)(thf)][B(3,5-(CF₃)₂C₆H₃)₄]; at 100 ℃; for 4h; under 6000.6 Torr; Inert atmosphere;

DOI:10.1021/cs400988w

upstream raw materials:

2-(prop-1-en-2-yl)furan

5-isopropyl-furan-2-carboxylic acid

2-isopropyl-furan-3-carboxylic acid

furan

Downstream raw materials:

3-(5-Isopropyl-furan-2-yl)-cyclohexanone

2-[1-(5-Isopropyl-furan-2-yl)-ethyl]-cyclohexanone

C₂₂H₂₁NO

C₂₂H₂₁NO

Refernces

• 1、 McKeown, Bradley A.,Prince, Bruce M.,Ramiro, Zoraida,Gunnoe, T. Brent,Cundari, Thomas R.. "PtII-catalyzed hydrophenylation of α-olefins: Variation of linear/branched products as a function of ligand donor ability". . p. 1607 - 1615. Retrieved 2014/05/20.
• 2、 Gartia, Yashraj,Ramidi, Punnamchandar,Cheerla, Sreevishnu,Felton, Charlette M.,Jones, Darin E.,Das, Bhaskar C.,Ghosh, Anindya. "Activation of sp3 and sp2 C-H bonds of oxygen containing heterocyclic molecules for alkylation and arylation reactions catalyzed by an iron complex". . p. 253 - 259. Retrieved 2014/07/07.