Chloromethyl 5-methyl-2-furyl ketone

Base Information

• Chemical Name: Chloromethyl 5-methyl-2-furyl ketone
• CAS No.: 81805-55-2
• Molecular Formula: C₇H₇ClO₂
• Molecular Weight: 158.584
• NSC Number: 168430
• UNII: WVT34KJ3KH
• DSSTox Substance ID: DTXSID40304938
• Nikkaji Number: J2.423.799K
• Wikidata: Q82051286
• ChEMBL ID: CHEMBL1974337
• Mol file: 81805-55-2.mol

Synonyms:81805-55-2;chloromethyl 5-methyl-2-furyl ketone;2-chloro-1-(5-methylfuran-2-yl)ethanone;2-Chloro-1-(5-methylfuran-2-yl)ethan-1-one;WVT34KJ3KH;2-Chloroacetyl-5-methylfuran;NSC-168430;Ethanone, 2-chloro-1-(5-methyl-2-furanyl)-;UNII-WVT34KJ3KH;Ketone, chloromethyl 5-methyl-2-furyl;2-Chloro-1-(5-methyl-2-furanyl)ethanone;NSC168430;SCHEMBL9466217;CHEMBL1974337;DTXSID40304938;AKOS006383620;2-Chloro-1-(5-methyl-2-furyl)ethanone;NCI60_001337;CS-0225634;EN300-1245042;Ethanone,2-chloro-1-(5-methyl-2-furanyl)-(9ci);Z1205658134

Chemical Property of Chloromethyl 5-methyl-2-furyl ketone

Chemical Property:

• Vapor Pressure: 0.0325mmHg at 25°C
• Boiling Point: 243.2°Cat760mmHg
• Flash Point: 100.9°C
• PSA: 30.21000
• Density: 1.206g/cm³
• LogP: 2.00950
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 158.0134572
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

2-chloro-1-(5-methyl-2-furanyl)-Ethanone 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(O1)C(=O)CCl

Technology Process of Chloromethyl 5-methyl-2-furyl ketone

There total 3 articles about Chloromethyl 5-methyl-2-furyl ketone 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: 95.0%

(E)-2-(2-chloro-1-ethoxyethenyl)-5-methylfuran → chloromethyl 5-methyl-2-furyl ketone (81805-55-2)

Guidance literature:

With hydrogenchloride; ethanol; In 1,2-dichloro-ethane; at 20 ℃;

DOI:10.1002/ejoc.200600863

Reference yield:

2-lithio-5-methylfuran (54783-53-8) → chloromethyl 5-methyl-2-furyl ketone (81805-55-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent / tetrahydrofuran / 0.25 h / -20 °C

2: 95 percent / HCl; EtOH / 1,2-dichloro-ethane / 20 °C

With hydrogenchloride; ethanol; In tetrahydrofuran; 1,2-dichloro-ethane;

DOI:10.1002/ejoc.200600863

Reference yield:

2-methylfuran (534-22-5) + chloroacetonitrile (107-14-2) → chloromethyl 5-methyl-2-furyl ketone (81805-55-2)

Guidance literature:

With hydrogenchloride; diethyl ether; Behandeln des Reaktionsprodukts mit Wasser;

DOI:10.1039/jr9590002767

upstream raw materials:

2-methylfuran

chloroacetonitrile

2-lithio-5-methylfuran

Downstream raw materials:

methyl 4-methyl-3-<2-(5-methyl)furoyl>methoxy-2-nitrobenzoate

N-{4-Methoxymethyl-1-[2-(5-methyl-furan-2-yl)-2-oxo-ethyl]-piperidin-4-yl}-N-phenyl-propionamide

2-amino-4-methyl-3-<2-(5-methyl)furoyl>methoxybenzoic acid ethylene acetal

2-(2,3-dibromo-4-methoxy-6-methylphenoxy)-1-(5-methylfuran-2-yl)ethanone ethylene acetal

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