3-Fluoro-2-iodophenyl N,N-diethylcarbamate

Base Information

• Chemical Name: 3-Fluoro-2-iodophenyl N,N-diethylcarbamate
• CAS No.: 863870-74-0
• Molecular Formula: C11H13 F I N O2
• Molecular Weight: 337.13
• DSSTox Substance ID: DTXSID70472295
• Nikkaji Number: J2.843.667J
• Mol file: 863870-74-0.mol

Synonyms:863870-74-0;3-FLUORO-2-IODOPHENYL N,N-DIETHYLCARBAMATE;(3-fluoro-2-iodophenyl) N,N-diethylcarbamate;Carbamic acid,diethyl-, 3-fluoro-2-iodophenyl ester (9CI);SCHEMBL18864153;DTXSID70472295;3-Fluoro-2-iodophenyl diethylcarbamate

Chemical Property of 3-Fluoro-2-iodophenyl N,N-diethylcarbamate

Chemical Property:

• PSA: 29.54000
• LogP: 3.27090
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 336.99750
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

3-FLUORO-2-IODOPHENYL-N,N-DIETHYLCARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)OC1=C(C(=CC=C1)F)I

Technology Process of 3-Fluoro-2-iodophenyl N,N-diethylcarbamate

There total 3 articles about 3-Fluoro-2-iodophenyl N,N-diethylcarbamate 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: 69.0%

→ O-3-fluoro-2-iodophenyl N,N-diethylcarbamate (863870-74-0)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In tetrahydrofuran; hexane; at -60 ℃; for 3h; Inert atmosphere;

With iodine; In tetrahydrofuran; hexane; at -60 - 20 ℃; for 1.5h; Inert atmosphere;

Reference yield:

3-fluorophenol (372-20-3) → O-3-fluoro-2-iodophenyl N,N-diethylcarbamate (863870-74-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-BuLi / tetrahydrofuran; hexane / -78 - 20 °C

1.2: 89 percent / hexane; tetrahydrofuran / 36 h / Heating

2.1: s-BuLi; TMEDA / cyclohexane; hexane; tetrahydrofuran / 2 h / -78 °C

2.2: 88 percent / iodine / tetrahydrofuran; hexane; cyclohexane / -78 - 20 °C

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In tetrahydrofuran; hexane; cyclohexane;

DOI:10.1021/jo0508402

Reference yield:

N,N-diethylcarbamyl chloride (88-10-8) → O-3-fluoro-2-iodophenyl N,N-diethylcarbamate (863870-74-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-BuLi / tetrahydrofuran; hexane / -78 - 20 °C

1.2: 89 percent / hexane; tetrahydrofuran / 36 h / Heating

2.1: s-BuLi; TMEDA / cyclohexane; hexane; tetrahydrofuran / 2 h / -78 °C

2.2: 88 percent / iodine / tetrahydrofuran; hexane; cyclohexane / -78 - 20 °C

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In tetrahydrofuran; hexane; cyclohexane;

DOI:10.1021/jo0508402

upstream raw materials:

3-fluorophenol

N,N-diethylcarbamyl chloride

Downstream raw materials:

2-(3-fluoro-2-iodophenoxy)-2-methylpropanamide

4-fluoro-2-pentyl-3-(phenylthio)-1H-indole

N-(3-fluoro-2-iodophenyl)-2-hydroxy-2-methylpropanamide

2-butyl-4-fluoro-1H-indole