1-Pentanone, 1-(2-furanyl)-4-methyl-

Base Information

• Chemical Name: 1-Pentanone, 1-(2-furanyl)-4-methyl-
• CAS No.: 78072-59-0
• Molecular Formula: C10H14 O2
• Molecular Weight: 166.217
• NSC Number: 27362
• UNII: 6U40GS12S7
• DSSTox Substance ID: DTXSID50228717
• Nikkaji Number: J371.320B
• Wikidata: Q83108767

Synonyms:1-Pentanone, 1-(2-furanyl)-4-methyl-;78072-59-0;2-(4-Methyl-1-oxopentyl)furan;6U40GS12S7;NSC-27362;NSC27362;NSC 27362;1-(furan-2-yl)-4-methylpentan-1-one;AI3-26554;2-(4-methylvaleryl)furan;SCHEMBL974211;UNII-6U40GS12S7;DTXSID50228717;AKOS010981064;4-Methylpentanone, 1-(furan-2-yl)-;1-(2-FURANYL)-4-METHYL-1-PENTANONE;1-PENTANONE, 1-(2-FURYL)-4-METHYL-

Chemical Property of 1-Pentanone, 1-(2-furanyl)-4-methyl-

Chemical Property:

• Vapor Pressure: 0.0463mmHg at 25°C
• Boiling Point: 236.8°C at 760 mmHg
• Flash Point: 102.8°C
• Density: 0.976g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCC(=O)C1=CC=CO1

Technology Process of 1-Pentanone, 1-(2-furanyl)-4-methyl-

There total 6 articles about 1-Pentanone, 1-(2-furanyl)-4-methyl- 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: 78.0%

furan (110-00-9) + 4-Methylpentanoic acid (646-07-1) → 1-(furan-2-yl)-4-methylpentan-1-one (78072-59-0)

Guidance literature:

With boron trifluoride diethyl etherate; trifluoroacetic anhydride; In toluene; at 50 - 55 ℃; for 2h;

DOI:10.1021/ja074871l

Reference yield: 59.0%

2-furancarbonyl chloride (527-69-5) + (3-methylbutyl)magnesium bromide (4548-78-1) → 1-(furan-2-yl)-4-methylpentan-1-one (78072-59-0)

Guidance literature:

With copper(l) iodide; In tetrahydrofuran; at -78 - 20 ℃; Schlenk technique;

DOI:10.1002/anie.201710790

Reference yield:

(3-methylbutyl)magnesium bromide (4548-78-1) + Brenzschleimsaeurenitril (72667-24-4) → 1-(furan-2-yl)-4-methylpentan-1-one (78072-59-0)

Guidance literature:

With diethyl ether;

upstream raw materials:

2-furancarbonyl chloride

diisopentyl cadmium

tetrachloromethane

2-furanoic acid

Downstream raw materials:

C₂₁H₂₆NO₄PS

MB 05032

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