2-Propylfuran

Base Information

• Chemical Name: 2-Propylfuran
• CAS No.: 4229-91-8
• Molecular Formula: C7H10O
• Molecular Weight: 110.156
• Hs Code.: 2932190090
• European Community (EC) Number: 224-182-8
• NSC Number: 35553
• UNII: 592DXD68ZG
• DSSTox Substance ID: DTXSID00195122
• Nikkaji Number: J45.572E
• Wikidata: Q63392388
• Metabolomics Workbench ID: 48961
• Mol file: 4229-91-8.mol

Synonyms:2-Propylfuran;4229-91-8;2-n-Propylfuran;Furan, 2-propyl-;2-Propyl-Furan;EINECS 224-182-8;NSC-35553;AI3-26552;2-n-PROPYL FURAN;2-propyluran;alpha-Propylfuran;NSC35553;Furan, alpha -propyl-;2-PROPYL FURAN;Furan, .alpha.-propyl-;SCHEMBL414949;592DXD68ZG;CPLJMYOQYRCCBY-UHFFFAOYSA-;DTXSID00195122;CHEBI:192300;MFCD00047070;NSC 35553;AKOS025396850;CS-0169289;FT-0758195;P1488;D92136;Q63392388

Chemical Property of 2-Propylfuran

Chemical Property:

• Vapor Pressure: 17.7mmHg at 25°C
• Refractive Index: 1.451
• Boiling Point: 121.3 °C at 760 mmHg
• Flash Point: 14.8 °C
• PSA: 13.14000
• Density: 0.906 g/cm³
• LogP: 2.23210
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 110.073164938
• Heavy Atom Count: 8
• Complexity: 61.4

Purity/Quality:

99.5% ^*data from raw suppliers

2-Propylfuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Ethers, Other
• Canonical SMILES: CCCC1=CC=CO1
• Description: 2-Propylfuran belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.2-propylfuran had odor thresholds of 6 ppm. It has been detected, but not quantified in, a few different foods, such as fruits, nuts, and pulses. This could make 2-propylfuran a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2-Propylfuran.

Technology Process of 2-Propylfuran

There total 27 articles about 2-Propylfuran 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: 86.0%

3-(2'-furyl)propyl fluoride (1396797-86-6) + para-methylphenylmagnesium bromide (4294-57-9) → 2-propylfuran (4229-91-8) + 2-<3-(4-Methylphenyl)propyl>furan (109878-70-8)

Guidance literature:

With [(1,3-diisopropyl-4,5-dimethyl-imidazolin-2-ylidene)Fe(μ2-2,6-diisopropylphenylamine(-2H))2Fe(1,3-diisopropyl-4,5-dimethyl-imidazolin-2-ylidene)]; In tetrahydrofuran; at 20 ℃; for 48h;

DOI:10.1021/om300722g

Reference yield: 76.0%

hepta-1,2-dien-4-one (2200-55-7) → 2-propylfuran (4229-91-8) + (E)-2-(5-Propyl-furan-3-yl)-hept-2-en-4-one

Guidance literature:

tetrakis(2,2,2-trifluoroethoxycarbonyl)palladacyclopentadiene; In acetone; Ambient temperature;

Reference yield: 53.0%

furan (110-00-9) + propyl bromide (106-94-5) → 2-propylfuran (4229-91-8)

Guidance literature:

DOI:10.1021/j100440a005

upstream raw materials:

2-propenylfuran

2-propionylfuran

1-furan-2-yl-propan-2-one

furan

Downstream raw materials:

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

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

1-phenyl-2-propyl-1H-pyrrole

5-propylfuran-2-carbaldehyde

Refernces

• 1、 Wang, Tianze,Zhen, Dawei,Tan, Jia,Xie, Jianchun,Cheng, Jie,Zhao, Jian. "Characterization of initial reaction intermediates in heated model systems of glucose, glutathione, and aliphatic aldehydes". . . Retrieved 2019/09/12.
• 2、 Mo, Zhenbo,Zhang, Qiang,Deng, Liang. "Dinuclear iron complex-catalyzed cross-coupling of primary alkyl fluorides with aryl grignard reagents". . p. 6518 - 6521. Retrieved 2012/10/29.