Ethyl 5-(1-chloroethyl)furan-2-carboxylate

Base Information

• Chemical Name: Ethyl 5-(1-chloroethyl)furan-2-carboxylate
• CAS No.: 18744-04-2
• Molecular Formula: C9H11 Cl O3
• Molecular Weight: 202.638
• DSSTox Substance ID: DTXSID20545241
• Mol file: 18744-04-2.mol

Synonyms:ethyl 5-(1-chloroethyl)furan-2-carboxylate;18744-04-2;Ethyl 5-(1-chloroethyl)-2-furoate;SCHEMBL25062393;DTXSID20545241

Chemical Property of Ethyl 5-(1-chloroethyl)furan-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.0141mmHg at 25°C
• Refractive Index: 1.487
• Boiling Point: 258°Cat760mmHg
• Flash Point: 109.8°C
• PSA: 39.44000
• Density: 1.18g/cm³
• LogP: 2.75610
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 202.0396719
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

5-(1-CHLOROETHYL)-2-FURANCARBOXYLIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(O1)C(C)Cl

Technology Process of Ethyl 5-(1-chloroethyl)furan-2-carboxylate

There total 2 articles about Ethyl 5-(1-chloroethyl)furan-2-carboxylate 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: 41.0%

Ethyl 2-furoate (614-99-3) + paracetaldehyde (123-63-7) → ethyl 5-(1-chloroethyl)furan-2-carboxylate (18744-04-2)

Guidance literature:

With hydrogenchloride; zinc(II) chloride; In chloroform; at 25 - 30 ℃; for 5h;

DOI:10.1134/S1070363215020127

Reference yield:

Ethyl 2-furoate (614-99-3) + acetaldehyde (75-07-0,9002-91-9) → ethyl 5-(1-chloroethyl)furan-2-carboxylate (18744-04-2)

Guidance literature:

With chloroform; zinc(II) chloride; anschliessend mit Chlorwasserstoff behandeln;

Reference yield:

ethyl 5-(1-chloroethyl)furan-2-carboxylate (18744-04-2) → 2-ethylfuran (3208-16-0)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid; zinc-powder / Behandeln des warmen Reaktionsgemisches mit Chlorwasserstoff

2: aq. NaOH solution

With sodium hydroxide; acetic acid; zinc;

upstream raw materials:

Ethyl 2-furoate

acetaldehyde

paracetaldehyde

Downstream raw materials:

furan-2,5-dicarboxylic acid

benzyl N-<5-(1-methoxyethyl)-2-furyl>carbamate

2-Hydroxy-2-(1-methoxy-ethyl)-5-oxo-2,5-dihydro-pyrrole-1-carboxylic acid benzyl ester

2-ethylfuran