ethyl 3,4-difluoro-2-iodophenylcarbaMate

Base Information

• Chemical Name: ethyl 3,4-difluoro-2-iodophenylcarbaMate
• CAS No.: 1268052-94-3
• Molecular Formula: C9H8F2INO2
• Molecular Weight: 327.069
• Mol file: 1268052-94-3.mol

Synonyms:ethyl 3,4-difluoro-2-iodophenylcarbaMate

Chemical Property of ethyl 3,4-difluoro-2-iodophenylcarbaMate

Chemical Property:

• Boiling Point: 262.9±40.0 °C(Predicted)
• PKA: 11.27±0.70(Predicted)
• PSA: 41.82000
• Density: 1.859±0.06 g/cm3(Predicted)
• LogP: 3.15140

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl(3,4-difluoro-2-iodophenyl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ethyl 3,4-difluoro-2-iodophenylcarbaMate

There total 2 articles about ethyl 3,4-difluoro-2-iodophenylcarbaMate 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: 44.0%

(3,4-difluorophenyl)carbamic acid ethyl ester (2145-85-9) → (3,4-difluoro-2-iodophenyl)carbamic acid ethyl ester (1268052-94-3)

Guidance literature:

(3,4-difluorophenyl)carbamic acid ethyl ester; With sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -78 ℃; for 1.16667h;

With iodine; In tetrahydrofuran; cyclohexane; at -78 ℃; for 0.583333h;

Reference yield:

3,4-difluoroaniline (3863-11-4) → (3,4-difluoro-2-iodophenyl)carbamic acid ethyl ester (1268052-94-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C

2.1: sec.-butyllithium / cyclohexane; tetrahydrofuran / 1.17 h / -78 °C

2.2: 0.58 h / -78 °C

With pyridine; sec.-butyllithium; In tetrahydrofuran; cyclohexane;

Reference yield: 79.0%

(3,4-difluoro-2-iodophenyl)carbamic acid ethyl ester (1268052-94-3) + trimethylsilylacetylene (1066-54-2) → (3,4-difluoro-2-trimethylsilanylethynylphenyl)carbamic acid ethyl ester (1268052-96-5)

Guidance literature:

With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; at 20 ℃; for 5h;

upstream raw materials:

3,4-difluoroaniline

(3,4-difluorophenyl)carbamic acid ethyl ester

Downstream raw materials:

(3,4-difluoro-2-trimethylsilanylethynylphenyl)carbamic acid ethyl ester

4,5-difluoro-1H-indole

Refernces