1-(2-(Chloromethyl)-5-phenylfuran-3-YL)ethanone

Base Information

• Chemical Name: 1-(2-(Chloromethyl)-5-phenylfuran-3-YL)ethanone
• CAS No.: 281198-93-4
• Molecular Formula: C13H11ClO2
• Molecular Weight: 234.68
• DSSTox Substance ID: DTXSID80471395
• Nikkaji Number: J1.310.858G
• Wikidata: Q82299895
• Mol file: 281198-93-4.mol

Synonyms:281198-93-4;1-(2-(CHLOROMETHYL)-5-PHENYLFURAN-3-YL)ETHANONE;Ethanone,1-[2-(chloromethyl)-5-phenyl-3-furanyl]-;DTXSID80471395;AB44064;1-[2-(Chloromethyl)-5-phenylfuran-3-yl]ethan-1-one

Chemical Property of 1-(2-(Chloromethyl)-5-phenylfuran-3-YL)ethanone

Chemical Property:

• Boiling Point: 378.01 °C at 760 mmHg
• Flash Point: 182.414 °C
• PSA: 30.21000
• Density: 1.193 g/cm³
• LogP: 3.88800
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 234.0447573
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-(CHLOROMETHYL)-5-PHENYLFURAN-3-YL)ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(OC(=C1)C2=CC=CC=C2)CCl

Technology Process of 1-(2-(Chloromethyl)-5-phenylfuran-3-YL)ethanone

There total 5 articles about 1-(2-(Chloromethyl)-5-phenylfuran-3-YL)ethanone 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: 87.0%

3-acetyl-1-phenyl-2-pentene-1,4-dione (89201-18-3) → 3-acetyl-2-chloromethyl-5-phenylfuran (281198-93-4)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/S0040-4039(00)00373-7

Reference yield:

phenylglyoxal hydrate (1074-12-0) → 3-acetyl-2-chloromethyl-5-phenylfuran (281198-93-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / acetonitrile / 12 h / Heating

2: 87 percent / HCl / tetrahydrofuran; H₂O / 0.5 h / 23 °C

With hydrogenchloride; In tetrahydrofuran; water; acetonitrile;

DOI:10.1016/S0040-4020(02)01597-1

Reference yield:

acetylacetone (123-54-6,81235-32-7) → 3-acetyl-2-chloromethyl-5-phenylfuran (281198-93-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / acetonitrile / 12 h / Heating

2: 87 percent / HCl / tetrahydrofuran; H₂O / 0.5 h / 23 °C

With hydrogenchloride; In tetrahydrofuran; water; acetonitrile;

DOI:10.1016/S0040-4020(02)01597-1

upstream raw materials:

3-acetyl-1-phenyl-2-pentene-1,4-dione

phenylglyoxal hydrate

acetylacetone

Downstream raw materials:

3-acetyl-2-hydroxymethyl-5-phenylfuran