1-(Furan-2-yl)-2-methylpropan-1-one

Base Information

• Chemical Name: 1-(Furan-2-yl)-2-methylpropan-1-one
• CAS No.: 4208-53-1
• Molecular Formula: C₈H₁₀O₂
• Molecular Weight: 138.166
• NSC Number: 27358
• DSSTox Substance ID: DTXSID20282684
• Nikkaji Number: J3.286.992K
• Wikidata: Q82017030
• Mol file: 4208-53-1.mol

Synonyms:1-(furan-2-yl)-2-methylpropan-1-one;4208-53-1;2-isobutyrylfuran;NSC27358;2-Furylisopropyl ketone;SCHEMBL1107037;DTXSID20282684;MFCD16086713;NSC 27358;NSC-27358;AKOS010980386;CS-0436068;N14289

Chemical Property of 1-(Furan-2-yl)-2-methylpropan-1-one

Chemical Property:

• Vapor Pressure: 0.371mmHg at 25°C
• Boiling Point: 197.8°Cat760mmHg
• Flash Point: 84°C
• Density: 1.007g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Furan-2-yl)-2-methylpropan-1-one

There total 14 articles about 1-(Furan-2-yl)-2-methylpropan-1-one 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: 89.0%

1-(2-furyl)-1-ethanone (1192-62-7,80145-44-4) + methanol (67-56-1) → 2-methyl-1-(2-furyl)-1-propanone (4208-53-1)

Guidance literature:

With cobalt(II) tetrafluoroborate hexahydrate; tris(2-diphenylphosphinoethyl)phosphine; potassium carbonate; at 100 ℃; for 24h; Autoclave; Glovebox; Inert atmosphere;

DOI:10.1021/acs.orglett.7b02462

Reference yield: 82.0%

furan (110-00-9) + N,N-diethylisobutyramide (33931-44-1) → 2-methyl-1-(2-furyl)-1-propanone (4208-53-1)

Guidance literature:

furan; With n-butyllithium; In diethyl ether; hexane; at -20 ℃; Heating;

N,N-diethylisobutyramide; In diethyl ether; hexane; at -80 - 20 ℃;

Reference yield: 81.0%

methanol (67-56-1) + 1-(furan-2-yl)-2-propen-1-ol (119619-38-4) → 2-methyl-1-(2-furyl)-1-propanone (4208-53-1)

Guidance literature:

With trifuran-2-yl-phosphane; palladium diacetate; lithium tert-butoxide; at 130 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1002/adsc.202101101

upstream raw materials:

furan

2-Methylpropionic anhydride

isobutyryl chloride

2-furancarbonitrile

Downstream raw materials:

(2E)-2-cyano-3-(5-(5-(diphenylamino)-3,3-dimethyl-3H-indol-2-yl)furan-2-yl)acrylic acid

C₂₆H₂₂N₂O

C₂₇H₂₂N₂O₂

1-[2]furyl-2-methyl-propylamine

Refernces

• 1、 Zhu, Li,Zhao, Rui-Han,Li, Yu,Liu, Gong-Qing,Zhao, Yu. "CtD strategy to construct stereochemically complex and structurally diverse compounds from griseofulvin". supporting information. p. 10755 - 10758. Retrieved 2021/10/20.
• 2、 Liu, Zhenghui,Yang, Zhenzhen,Yu, Xiaoxiao,Zhang, Hongye,Yu, Bo,Zhao, Yanfei,Liu, Zhimin. "Methylation of C(sp3)-H/C(sp2)-H bonds with methanol catalyzed by cobalt system". supporting information. p. 5228 - 5231. Retrieved 2017/11/06.